Chemicals and DrugsAnalytical, Diagnostic and Therapeutic Techniques and EquipmentPhenomena and ProcessesInformation Science
Molecular ConformationProtein ConformationErabutoxinsX-Ray DiffractionModels, MolecularMagnetic Resonance SpectroscopyStructure-Activity RelationshipAmino Acid SequenceProtein BindingCrystallography, X-RayProtein Structure, SecondaryMolecular Sequence DataCircular DichroismBinding SitesProtein Structure, TertiaryThermodynamicsProtein FoldingHydrogen BondingSolutionsKineticsNuclear Magnetic Resonance, BiomolecularPolymorphism, Single-Stranded ConformationalMutationModels, ChemicalMolecular Dynamics SimulationLigandsSpectrometry, Fluorescence
Molecular Conformation
The characteristic three-dimensional shape of a molecule.
Protein Conformation
The characteristic 3-dimensional shape of a protein, including the secondary, supersecondary (motifs), tertiary (domains) and quaternary structure of the peptide chain. PROTEIN STRUCTURE, QUATERNARY describes the conformation assumed by multimeric proteins (aggregates of more than one polypeptide chain).
Erabutoxins
Toxins isolated from the venom of Laticauda semifasciata, a sea snake (Hydrophid); immunogenic, basic polypeptides of 62 amino acids, folded by four disulfide bonds, block neuromuscular end-plates irreversibly, thus causing paralysis and severe muscle damage; they are similar to Elapid neurotoxins.
X-Ray Diffraction
The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (CRYSTALLOGRAPHY, X-RAY). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Models, Molecular
Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.
Magnetic Resonance Spectroscopy
Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING).
Structure-Activity Relationship
The relationship between the chemical structure of a compound and its biological or pharmacological activity. Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups.
Amino Acid Sequence
The order of amino acids as they occur in a polypeptide chain. This is referred to as the primary structure of proteins. It is of fundamental importance in determining PROTEIN CONFORMATION.
Protein Binding
The process in which substances, either endogenous or exogenous, bind to proteins, peptides, enzymes, protein precursors, or allied compounds. Specific protein-binding measures are often used as assays in diagnostic assessments.
Crystallography, X-Ray
The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Protein Structure, Secondary
The level of protein structure in which regular hydrogen-bond interactions within contiguous stretches of polypeptide chain give rise to alpha helices, beta strands (which align to form beta sheets) or other types of coils. This is the first folding level of protein conformation.
Molecular Sequence Data
Descriptions of specific amino acid, carbohydrate, or nucleotide sequences which have appeared in the published literature and/or are deposited in and maintained by databanks such as GENBANK, European Molecular Biology Laboratory (EMBL), National Biomedical Research Foundation (NBRF), or other sequence repositories.
Circular Dichroism
A change from planar to elliptic polarization when an initially plane-polarized light wave traverses an optically active medium. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Binding Sites
The parts of a macromolecule that directly participate in its specific combination with another molecule.
Protein Structure, Tertiary
The level of protein structure in which combinations of secondary protein structures (alpha helices, beta sheets, loop regions, and motifs) pack together to form folded shapes called domains. Disulfide bridges between cysteines in two different parts of the polypeptide chain along with other interactions between the chains play a role in the formation and stabilization of tertiary structure. Small proteins usually consist of only one domain but larger proteins may contain a number of domains connected by segments of polypeptide chain which lack regular secondary structure.
Thermodynamics
A rigorously mathematical analysis of energy relationships (heat, work, temperature, and equilibrium). It describes systems whose states are determined by thermal parameters, such as temperature, in addition to mechanical and electromagnetic parameters. (From Hawley's Condensed Chemical Dictionary, 12th ed)
Protein Folding
Processes involved in the formation of TERTIARY PROTEIN STRUCTURE.
Hydrogen Bonding
A low-energy attractive force between hydrogen and another element. It plays a major role in determining the properties of water, proteins, and other compounds.
Solutions
The homogeneous mixtures formed by the mixing of a solid, liquid, or gaseous substance (solute) with a liquid (the solvent), from which the dissolved substances can be recovered by physical processes. (From Grant & Hackh's Chemical Dictionary, 5th ed)
Kinetics
The rate dynamics in chemical or physical systems.
Nuclear Magnetic Resonance, Biomolecular
NMR spectroscopy on small- to medium-size biological macromolecules. This is often used for structural investigation of proteins and nucleic acids, and often involves more than one isotope.
Polymorphism, Single-Stranded Conformational
Variation in a population's DNA sequence that is detected by determining alterations in the conformation of denatured DNA fragments. Denatured DNA fragments are allowed to renature under conditions that prevent the formation of double-stranded DNA and allow secondary structure to form in single stranded fragments. These fragments are then run through polyacrylamide gels to detect variations in the secondary structure that is manifested as an alteration in migration through the gels.
Mutation
Any detectable and heritable change in the genetic material that causes a change in the GENOTYPE and which is transmitted to daughter cells and to succeeding generations.
Models, Chemical
Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.
Molecular Dynamics Simulation
A computer simulation developed to study the motion of molecules over a period of time.
Ligands
A molecule that binds to another molecule, used especially to refer to a small molecule that binds specifically to a larger molecule, e.g., an antigen binding to an antibody, a hormone or neurotransmitter binding to a receptor, or a substrate or allosteric effector binding to an enzyme. Ligands are also molecules that donate or accept a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complex. (From Dorland, 27th ed)
Spectrometry, Fluorescence
Measurement of the intensity and quality of fluorescence.

Molecular dynamics studies of U1A-RNA complexes. (1/8682)

The U1A protein binds to a hairpin RNA and an internal-loop RNA with picomolar affinities. To probe the molecular basis of U1A binding, we performed state-of-the-art nanosecond molecular dynamics simulations on both complexes. The good agreement with experimental structures supports the protocols used in the simulations. We compare the dynamics, hydrogen-bonding occupancies, and interfacial flexibility of both complexes and also describe a rigid-body motion in the U1A-internal loop complex that is not observed in the U1A-hairpin simulation. We relate these observations to experimental mutational studies and highlight their significance in U1A binding affinity and specificity.  (+info)

Gangliosides of human kidney. (2/8682)

Five gangliosides isolated from human kidney have been characterized. The two main fractions were shown to be typical extraneural gangliosides in having lactose as their neutral carbohydrate moiety. Their structures were identified as: AcNeu(alpha2-3)Gal(beta1-4)Glc(beta1-1)Cer and AcNeu(alpha2-8)AcNeu(alpha2-3)Gal(beta1-4)Glc(beta1-1)Cer. The two main hexosamine-containing gangliosides are structurally related to human blood group substances of glycosphingolipid nature. The following structures are postulated: AcNeu(alpha2-3)Gal(beta1-4)GlcNAc(beta1-3)Gal(beta1-4)Glc(beta1-1)Cer and AcNeu(alpha2-3)Gal(beta1-4)[Fuc(alpha1-3)]GlcNAc(beta1-3)Gal(beta1-4)Glc(beta1-1) Cer. The third hexosamine-containing ganglioside belongs to a different series of glycolipids and was shown to have the structure of a major ganglioside of human brain: AcNeu(alpha2-3)Gal(beta1-3)GalNAc(beta1-4)[AcNeu(alpha2-3)]Gal(beta1-4)Glc(beta1- 1)Cer. The fatty acid structure of different gangliosides was shown to resemble that of neutral glycolipids of human kidney with the nonhydroxy acids C16:0, C22:0, and C24:0 as major components.  (+info)

Carbon 13 NMR study of nonenzymatic reactions of pyridoxal 5'-phosphate with selected amino acids and of related reactions. (3/8682)

Carbon 13 nuclear magnetic resonance spectroscopy has been used to monitor the nonenzymatic reactions of pyridoxal 5'-phosphate with glycine, alanine, valine, serine, and with several other model compounds. Isotopically enriched amino acids were employed so that low concentrations could be utilized while still allowing relatively rapid acquisition of spectral data. The results for alanine and serine are particularly noteworthy in that alanine is deaminated to pyruvate and pyruvate is aminated to alanine, but contrary to the enzymatic reactions of various serine dehydratases wherein serine is converted to pyruvate, the nonenzymatic reaction utilizing serine results in hydroxypruvate rather than pyruvate formation. In the reverse reaction, hydroxypyruvate is aminated to serine but very inefficiently relative to the amination of pyruvate to alanine. The experimental results have been formulated into a proposed reaction mechanism for deamination of amino acids by pyridoxal-P.  (+info)

Voltage sensors in domains III and IV, but not I and II, are immobilized by Na+ channel fast inactivation. (4/8682)

Using site-directed fluorescent labeling, we examined conformational changes in the S4 segment of each domain of the human skeletal muscle sodium channel (hSkM1). The fluorescence signals from S4 segments in domains I and II follow activation and are unaffected as fast inactivation settles. In contrast, the fluorescence signals from S4 segments in domains III and IV show kinetic components during activation and deactivation that correlate with fast inactivation and charge immobilization. These results indicate that in hSkM1, the S4 segments in domains III and IV are responsible for voltage-sensitive conformational changes linked to fast inactivation and are immobilized by fast inactivation, while the S4 segments in domains I and II are unaffected by fast inactivation.  (+info)

Quantitative study of polymer conformation and dynamics by single-particle tracking. (5/8682)

We present a new method for analyzing the dynamics of conformational fluctuations of individual flexible polymer molecules. In single-particle tracking (SPT), one end of the polymer molecule is tethered to an immobile substratum. A microsphere attached to the other end serves as an optical marker. The conformational fluctuations of the polymer molecule can be measured by optical microscopy via the motion of the microsphere. The bead-and-spring theory for polymer dynamics is further developed to account for the microsphere, and together the measurement and the theory yield quantitative information about molecular conformations and dynamics under nonperturbing conditions. Applying the method to measurements carried out on DNA molecules provides information complementary to recent studies of single DNA molecules under extensional force. Combining high precision measurements with the theoretical analysis presented here creates a powerful tool for studying conformational dynamics of biological and synthetic macromolecules at the single-molecule level.  (+info)

The structure of human parathyroid hormone-related protein(1-34) in near-physiological solution. (6/8682)

Parathyroid hormone-related protein plays a major role in the pathogenesis of humoral hypercalcemia of malignancy. Under normal physiological conditions, parathyroid hormone-related protein is produced in a wide variety of tissues and acts in an autocrine or paracrine fashion. Parathyroid hormone-related protein and parathyroid hormone bind to and activate the same G-protein-coupled receptor. Here we present the structure of the biologically active NH2-terminal domain of human parathyroid hormone-related protein(1-34) in near-physiological solution in the absence of crowding reagents as determined by two-dimensional proton magnetic resonance spectroscopy. An improved strategy for structure calculation revealed the presence of two helices, His-5-Leu-8 and Gln-16-Leu-27, connected by a flexible linker. The parathyroid hormone-related protein(1-34) structure and the structure of human parathyroid hormone(1-37) as well as human parathyroid hormone(1-34) are highly similar, except for the well defined turn, His-14-Ser-17, present in parathyroid hormone. Thus, the similarity of the binding affinities of parathyroid hormone and parathyroid hormone-related protein to their common receptor may be based on their structural similarity.  (+info)

Apolipoprotein A-I charge and conformation regulate the clearance of reconstituted high density lipoprotein in vivo. (7/8682)

While low apolipoprotein A-I (apoA-I) levels are primarily associated with increased high density lipoprotein (HDL) fractional catabolic rate (FCR), the factors that regulate the clearance of HDL from the plasma are unclear. In this study, the effect of lipid composition of reconstituted HDL particles (LpA-I) on their rate of clearance from rabbit plasma has been investigated. Sonicated LpA-I containing 1 to 2 molecules of purified human apoA-I and 5 to 120 molecules of palmitoyl-oleoyl phosphatidylcholine (POPC) exhibit similar charge and plasma FCR to that for lipid free apoA-I, 2.8 pools/day. Inclusion of 1 molecule of apoA-II to an LpA-I complex increases the FCR to 3.5 pools/day, a value similar to that observed for exchanged-labeled HDL3. In contrast, addition of 40 molecules of triglyceride, diglyceride, or cholesteryl ester to a sonicated LpA-I containing 120 moles of POPC and 2 molecules of apoA-I increases the negative charge of the particle and reduces the FCR to 1.8 pools/day. Discoidal LpA-I are the most positively charged lipoprotein particles and also have the fastest clearance rates, 4.5 pools/day. Immunochemical characterization of the different LpA-I particles shows that the exposure of an epitope at residues 98 to 121 of the apoA-I molecule is associated with an increased negative particle charge and a slower clearance from the plasma. We conclude that the charge and conformation of apoA-I are sensitive to the lipid composition of LpA-I and play a central role in regulating the clearance of these lipoproteins from plasma. conformation regulate the clearance of reconstituted high density lipoprotein in vivo.  (+info)

Application of distance geometry to 3D visualization of sequence relationships. (8/8682)

SUMMARY: We describe the application of distance geometry methods to the three-dimensional visualization of sequence relationships, with examples for mumps virus SH gene cDNA and prion protein sequences. Sequence-sequence distance measures may be obtained from either a multiple sequence alignment or from sets of pairwise alignments. AVAILABILITY: C/Perl code and HTML/VRML files from http://www.nibsc.ac.uk/dg3dseq/  (+info)

Language: English / Publisher: American Chemical Society / Subject: Molecular Structure and Molecular Conformation - Linus...Language: English / Publisher: American Chemical Society / Subject: Molecular Structure and Molecular Conformation - Linus...
You searched for: Language English Remove constraint Language: English Publisher American Chemical Society Remove constraint Publisher: American Chemical Society Subject Molecular Structure Remove constraint Subject: Molecular Structure Subject Molecular Conformation Remove constraint Subject: Molecular Conformation ...
https://profiles.nlm.nih.gov/spotlight/mm/catalog?f%5Breadonly_language_ssim%5D%5B%5D=English&f%5Breadonly_publisher_ssim%5D%5B%5D=American+Chemical+Society&f%5Breadonly_subject_ssim%5D%5B%5D=Molecular+Structure&f%5Breadonly_subject_ssim%5D%5B%5D=Molecular+Conformation&per_page=20&search_field=all_fields&view=gallery
Publisher: American Chemical Society / Subject: Molecular Structure and Molecular Conformation - Linus Pauling - Profiles in...Publisher: American Chemical Society / Subject: Molecular Structure and Molecular Conformation - Linus Pauling - Profiles in...
You searched for: Publisher American Chemical Society Remove constraint Publisher: American Chemical Society Subject Molecular Structure Remove constraint Subject: Molecular Structure Subject Molecular Conformation Remove constraint Subject: Molecular Conformation ...
https://profiles.nlm.nih.gov/spotlight/mm/catalog?f%5Breadonly_publisher_ssim%5D%5B%5D=American+Chemical+Society&f%5Breadonly_subject_ssim%5D%5B%5D=Molecular+Structure&f%5Breadonly_subject_ssim%5D%5B%5D=Molecular+Conformation&per_page=100&search_field=all_fields&sort=readonly_title_ssim+asc&view=list
Cyclohexane Chair Conformations Axial and Equatorial Tutorial VideoCyclohexane Chair Conformations Axial and Equatorial Tutorial Video
Cyclohexane Chair Conformation Video Tutorial as part of the Video Series by Leah4Sci- Learn about Chair Conformations including axial and equatorial interactions and stability with this step by step organic chemistry tutorial video
http://leah4sci.com/cyclohexane-chair-conformations-axial-and-equatorial-stability/
Patent US5123085 - Method and apparatus for rendering anti-aliased polygons - Google PatentsPatent US5123085 - Method and apparatus for rendering anti-aliased polygons - Google Patents
A scan conversion process is performed on a polygon using a single pass technique. The pixels which comprise the edges and vertices of the polygon are first determined from the vertices which define the polygon. The alpha channel comprises either a sub-pixel mask associated with each pixel which indicates the amount and sub-pixel regions of coverage or a single value indicative of the percentage of coverage of a pixel. Furthermore, a z value indicative of the depth of each pixel is maintained. The pixels between the edge pixels of the polygon are then turned on, thereby filling the polygon. The pixels which comprise the polygon are then composited with the background pixels on a per pixel basis. The depth value of each pixel of the polygon (the z value) is used to determine the compositing equations to be used to composite each pixel of the polygon to the background. The compositing equations update the color of the pixel, the z buffer value of the background pixel and the sub-pixel mask to reflect the
http://www.google.com/patents/US5123085?dq=6,712,702
Modem illumination of monotone polygonsModem illumination of monotone polygons
We study a generalization of the classical problem of illumination of polygons. Instead of modeling a light source we model a wireless device whose radio signal can penetrate a given number k of walls. We call these objects k-modems and study the minimum number of k-modems necessary to illuminate monotone and monotone orthogonal polygons. We show that every monotone polygon on n vertices can be illuminated with n 2k k-modems and exhibit examples of monotone polygons requiring l n 2k+2 m k-modems. For monotone orthogonal polygons, we show that every such polygon on n vertices l can be illuminated with n 2k+4 m k-modems and give examples which require l n 2k+4 m k-modems for k even and l n 2k+6 m for k odd ...
https://upcommons.upc.edu/handle/2117/6393
Convex polygon packing based meshing algorithm for modeling of rock and porous media - CAMLABConvex polygon packing based meshing algorithm for modeling of rock and porous media - CAMLAB
Lecture Notes in Computer Science, vol 12141. Springer, Cham. J. Torres, N. Hitschfeld, R. O. Ruiz and A. Ortiz-Bernardin. Abstract. In this work, we propose new packing algorithm designed for the generation of polygon meshes to be used for modeling of rock and porous media based on the virtual element method. The packing problem to be solved corresponds to a two-dimensional packing of convex-shape polygons and is based on the locus operation used for the advancing front approach. Additionally, for the sake of simplicity, we decided to restrain the polygon rotation in the packing process. Three heuristics are presented to simplify the packing problem: density heuristic, gravity heuristic and the multi-layer packing. The decision made by those three heuristic are prioritizing on minimizing the area, inserting polygons on the minimum Y coordinate and pack polygons in multiple layers dividing the input in multiple lists, respectively. Finally, we illustrate the potential of the generated meshes by ...
https://camlab.cl/2020/06/30/convex-polygon-packing-based-meshing-algorithm-for-modeling-of-rock-and-porous-media/
CCCC 1994, Volume 59, Issue 3, Abstracts pp. 675-682 | Collection of Czechoslovak Chemical Communications
The synthesis of two pairs of the title diastereomers, which represent conformationally constrained analogues of the phenylcarbamate local anesthetics, is described. The synthesis was accomplished by starting from cycloheptanone and 2-alkoxyanilines and the intermediate diastereomers of 2-aminomethylcycloalkanols (VI, VII) were separated as their 4-nitrobenzoyl derivatives (IV, V) by extraction and fractional crystallization. The prepared compounds (VIIIa, VIIIb, IXa, and IXb) are assumed to be of help in interpreting the structure activity relationships within this class of drugs.. ...
http://cccc.uochb.cas.cz/59/3/0675/
Historical:Idea Brushing Polygon - PanoTools.org WikiHistorical:Idea Brushing Polygon - PanoTools.org Wiki
When the first of these half-way boundaries are crossed, the corresponding polygon is chosen, the half-way point defined, and also a trace, a part of the polygon outline, is selected as follows: The start point and the half-way point define a direction. From the start point inside the angle range 30-60 degrees left one looks for a polygon point to act as trace endpoint (full blue circle). If there are several, one chooses the best as endpoint, which usually means the point nearest to the 45 degrees direction. If there is no point within that angle range but a polygon face, then a candidate endpoint (open circle) is placed on it at 45 degrees. Then repeat for the angle range to the right. There is a continuous polygon trace between two endpoints (blue), any segment of it connected to an endpoint is an endpoint segment. There may be intermediate points and intermediate segments (violet). Possibly this trace should be highlighted at that point in the GUI. ...
https://wiki.panotools.org/Historical:Idea_Brushing_Polygon
Frequency polygon legal definition of frequency polygonFrequency polygon legal definition of frequency polygon
Definition of frequency polygon in the Legal Dictionary - by Free online English dictionary and encyclopedia. What is frequency polygon? Meaning of frequency polygon as a legal term. What does frequency polygon mean in law?
https://legal-dictionary.thefreedictionary.com/frequency+polygon
Maria Paluchowska | Department of Medicinal ChemistryMaria Paluchowska | Department of Medicinal Chemistry
Bojarski, A. J.; Paluchowska, M. H.; Duszyńska, B.; Kłodzińska, A.; Tatarczyńska, E.; Chojnacka-Wójcik, E. 1-Aryl-4-(4-succinimidobutyl)piperazines and their conformationally constrained analogues: synthesis, binding to serotonin (5-HT1A, 5-HT2A, 5-HT7), α1-adrenergic and dopaminergic D2 receptors, and in vivo 5-HT1A functional characteristics. Bioorg. Med. Chem. 2005, 13, 2293-3303 (http://www.ncbi.nlm.nih.gov/pubmed/15727878 ...
http://medchem-ippas.eu/maria-paluchowska/
Patent US3816726 - Computer graphics clipping system for polygons - Google PatentsPatent US3816726 - Computer graphics clipping system for polygons - Google Patents
A system is disclosed for clipping three-dimensional polygons for use in a computer-graphics display. The system removes from each polygon all parts that lie outside an arbitrary, plane-faced, convex polyhedron, e.g. a truncated pyramid defining a viewing volume. The polygon is defined by data representing a group of vertices and is clipped separately in its entirety against each clipping plane (of the polyhedron). In a multiple-stage structure as disclosed, each stage clips the polygon against a single plane and requires storage for only two vertex values. A time-sharing embodiment of the system is also disclosed. The disclosed system also incorporates the use of a perspective transformation matrix which provides for arbitrary field-of-view angles and depth-of-field distances while utilizing simple, fixed clipping planes.
http://www.google.com/patents/US3816726?dq=6,998,619
Polygon with holePolygon with hole
DOCTYPE html, ,html, ,head, ,meta name=viewport content=initial-scale=1.0, user-scalable=no, ,meta charset=utf-8, ,title,Polygon with Hole,/title, ,style, /* Always set the map height explicitly to define the size of the div * element that contains the map. */ #map { height: 100%; } /* Optional: Makes the sample page fill the window. */ html, body { height: 100%; margin: 0; padding: 0; } ,/style, ,/head, ,body, ,div id=map,,/div, ,script, // This example creates a triangular polygon with a hole in it. function initMap() { var map = new google.maps.Map(document.getElementById(map), { zoom: 5, center: {lat: 24.886, lng: -70.268}, }); // Define the LatLng coordinates for the polygons outer path. var outerCoords = [ {lat: 25.774, lng: -80.190}, {lat: 18.466, lng: -66.118}, {lat: 32.321, lng: -64.757} ]; // Define the LatLng coordinates for the polygons inner path. // Note that the points forming the inner path are wound in the // opposite direction to those in the outer path, to form the ...
https://developers.google.com/maps/documentation/javascript/examples/polygon-hole?hl=fr
Priority Polygons - Monarch MountainPriority Polygons - Monarch Mountain
The first phase of the 5-year Monarch Pass Vegetation Management Project aims to treat the yellow priority polygons shown below. While this initial effort will not cover the entirety of these areas, work is on track for the majority of these polygons to receive some type of treatment. All of these zones are located within the ski area boundary on somewhat lower angle terrain where the timber can be removed without the use of winch assisted machinery or helicopters.. US Highway 50 can be seen running from top to bottom on the right side of the polygons. The yellow polygons on the lower right-hand side are located along Gunbarrel Ridge adjacent to Old Monarch Pass Road. Central areas being treated include the Lower No Name trees and the Ajax runout. The Sleepy Hollow corridor down towards the Tumbelina Lift and the lower Panorama basin will comprise the rest of the main objectives for this initial effort.. ...
https://www.skimonarch.com/priority-polygons/
vertex.php - Polygon - PHP Classesvertex.php - Polygon - PHP Classes
vertex and segment objects used by polygon. vertex.php This package can be used to perform different types of geometric operations with polygons. It provides generic polygon and vertex classes that support mixing lines and arc segments between vertices. Polygons may be self-intersecting. It provides means to perform boolean operations AND and OR (Intersect and Union) with the shapes and...
https://www.phpclasses.org/browse/file/10682.html
SYSTEM AND METHOD FOR COMPRESSION AND SIMPLIFICATION OF VIDEO, PICTORIAL, OR GRAPHICAL DATA USING POLYGON REDUCTION FOR...SYSTEM AND METHOD FOR COMPRESSION AND SIMPLIFICATION OF VIDEO, PICTORIAL, OR GRAPHICAL DATA USING POLYGON REDUCTION FOR...
0012] At 135, the computer processor is configured to execute a conversion tool to convert the model from the CAD format into the lightweight format. At 140, the reduced mesh is exported into the lightweight format. The lightweight format can be a .JT format (145). The conversion tool can be an Okino Polytrans tool (150). The animation tool can be an Autodesk 3D Studio Max product (153). At 155, the animation tool combines the polygons of the lightweight format into a reduced mesh via a 3D Studio Max attach list function. At 160, the animation tool optimizes the reduced mesh by reducing the count of polygons of the model via a 3D Studio Max ProOptimizer function. At 165, the computer processor is configured to use the exported optimized mesh in a real time application, and at 167, the real time application includes one or more of a virtual reality application and a computer game application. At 175, the animation tool combines the polygons of the lightweight format into a reduced mesh by ...
http://www.patentsencyclopedia.com/app/20130187916
NIEM 2.1 gml:Polygon - Complete documentation and samplesNIEM 2.1 gml:Polygon - Complete documentation and samples
A Polygon is a special surface that is defined by a single surface patch (see D.3.6). The boundary of this patch is coplanar and the polygon uses planar interpolation in its interior. The elements exterior and interior describe the surface boundary of the polygon.
http://www.datypic.com/sc/niem21/e-gml32_Polygon.html
... ...
【数据：当前Polygon上总锁仓量为55.4亿美元】金色财经报道，据DeBank数据显示，目前Polygon上总锁仓量55.4亿美元，净锁仓量44.4亿美元。锁仓资产排名前五分别为Aave（22亿美元）、QuickSwap（11亿美元）、SushiSwap（4.83亿美元）、Curve（4.78亿美元）、BalancerV2(2.02亿美元)。
https://www.webull.com/news/45486839
Polygon Maker - Visio GuyPolygon Maker - Visio Guy
Private Sub DrawShape(iNumSides, dRadiusInches) Dim i As Integer Dim shp As Visio.Shape Dim xy() As Double Dim ang As Double, angDelta As Double,/span, // Create an array to hold all of the points: ReDim xy(1 To iNumSides * 2 + 2),/span, angDelta = 3.14159265358 / iNumSides // Use trigonometry to calculate each vertex: For i = 1 To UBound(xy) Step 2 ang = (i - 2) * angDelta xy(i) = dRadiusInches + dRadiusInches * VBA.Math.Cos(ang) xy(i + 1) = dRadiusInches + dRadiusInches * VBA.Math.Sin(ang) Next i // Use Visios DrawPolyline function to create the shape: Set shp = Visio.ActivePage.DrawPolyline(xy, 0) // flag = visPolyline1D or visPolyarcs or just 0 // Close off the polygon by setting the last geometry // rows formulas to reference the first row: shp.Cells(Geometry1.X2).Formula = Geometry1.X1 shp.Cells(Geometry1.Y2).Formula = Geometry1.Y1 // Set the polygon to be filled: shp.Cells(Geometry1.NoFill).Formula = FALSE End Sub ...
http://www.visguy.com/2006/11/24/polygon-maker/
Concept Slides: Polygon Center CirclesConcept Slides: Polygon Center Circles
Suggested Price: $9.99 -- This means you can pay $9.99 to download and use these Polygon Center Circle graphics. Alternatively, please pay whatever you wish -- and less than $9.99 is fine too (minimum price is set as $4.99). We can make these products available to you at a low cost because of your kind support -- thank you!The ZIP file that you will download contains:- 4 shapes (vector shapes) contained within PowerPoint slides, so that you just copy and paste within your slides.- Each individual shape is a native PowerPoint shape that can be re-sized, rotated, or moved as required. You can also animate individual shapes as required.- Each shape can be filled with all shape fill types -- black and white shapes are already included.So go ahead and download this product! Don't you want your slides to have some Polygon Center Circles today?
https://gumroad.com/l/icSI
Polygon Rotation - emWin related - SEGGER - ForumPolygon Rotation - emWin related - SEGGER - Forum
Hello I have a simple question about polygon rotation, that I couldnt find the answer in reference manual. I want to know what is the origin point of rotation in function GUI_RotatePolygon? I mean this function rotates the polygon around to which…
https://forum.segger.com/index.php/Thread/6617-Polygon-Rotation/?s=429572c24937674a550d931c4ee16ad75e6006f6
zbMATH Open - the first resource for mathematicszbMATH Open - the first resource for mathematics
The paper deals with the non-constancy of the Jacobian Newton polygon in an equisingular family of complete intersection branches. In more details, for a hypersurface germ \(f(u_0..u_n)=0\) consider the map \((l,f):~(\mathbb C^{n+1},0)\rightarrow(\mathbb C^{2},0)\). Here \(l\) is a generic linear form. Let \(t_0,t_1\) be the coordinates on \(\mathbb C^2\). The Jacobian Newton polygon of the hypersurface is defined to be the Newton polygon of the discriminant of the above map (in the coordinates \((t_0,t_1)\)). In general, under equisingular deformations of the hypersurface \((f=0)\), the discriminant changes (e.g. the number of branches can vary). However the Newton polygon of the discriminant is known to be constant. Even more, in case of uni-branched plane curves the Jacobian Newton polygon is a complete invariant of the singularity type (e.g., the semi-group or Puiseux characteristics can be restored). A natural question therefore is the constancy of the Jacobian Newton polygon for curves ...
https://zbmath.org/?q=an%3A1101.14041
xna - Implementing hitbox polygon - Game Development Stack Exchangexna - Implementing hitbox polygon - Game Development Stack Exchange
function in my polygon class, and I would rather not update the position every tick (it would clutter up my tick functions). At the same time I would really like to have the positions in there somehow (it has a drawing function, and i will be using it for hit detection). How would i go about implementing this polygon object into my entities?. ...
https://gamedev.stackexchange.com/questions/40497/implementing-hitbox-polygon
Geography .STIntersects() incorrect if polygon is bigGeography .STIntersects() incorrect if polygon is big
A good way to see what Michael is talking about is to use the STBuffer to expand the polygon slightly. In doing this it has to define more points around the boundary of the polygon.. The key thing to remember is that the lines of latitude are rings that are parallel to the equator. They do not define the shortest distance between two points. So the line from your points 47.0 -155.0 to 47.0 -85.0, does not follow the 47 latitude but actually arcs up to the ~ 52.5 latitude Get Mortens spatial tool and plot the shapes. If you plot them as you have it looks like they overlap. However the tool does allow for the curve of the earth. create shape by using hte STBuffer method i.e. , @PolyBig.STBuffer(-1).STBuffer(1).ToString() and then plot it you will see who the shape is actually curved.. ...
https://social.msdn.microsoft.com/Forums/en-US/006785d4-8201-4765-b74c-aa4a053bdd61/geography-stintersects-incorrect-if-polygon-is-big?forum=sqlspatial
polygon | planetmath.org
Although Mathprof has adopted and edited this entry so that the concepts are mathematically precise, I am concerned about the accessibility of this entry to non-mathematicians. The term polygon is one that people encounter very early on and thus, in my opinion, should have an entry that gives basic information about polygons that are both mathematically precise and accessible to the general population.. Also, I am pretty sure that this entry went up for adoption due to the fact that terms such as interior angle and exterior angle are difficult to define in a mathematically precise way. Nevertheless, these terms (along with angle sum) are commonly used and should appear somewhere in PM.. I have been toying with creating another polygon entry which is meant for people who do not have the mathematical background that is necessary to understand the bulk of the content of the current entry. Before doing this, I wanted to get other peoples opinions on this matter.. ...
http://planetmath.org/node/31384
Dark Polygon no BaixakiDark Polygon no Baixaki
Dark Polygon: veja todos os programas para download desenvolvidos por Dark Polygon listados no Baixaki. Você pode filtrar a lista por sistema operacional, licença, downloads, data e nota.
https://www.baixaki.com.br/pesquisa_develop.asp?so=8&c=88641
Polygon Siskiu T8 Review | GearLabPolygon Siskiu T8 Review | GearLab
The Polygon Siskiu T8 is an excellent mid-travel trail bike offered at a reasonable price. Polygons consumer-direct sales model helps keep it affordable...
https://www.outdoorgearlab.com/reviews/biking/mountain-bike-under-2500/polygon-siskiu-t8
Molecular models for the smectic A-smectic C phase transition in a system of biaxial molecules - StrathprintsMolecular models for the smectic A-smectic C phase transition in a system of biaxial molecules - Strathprints
A molecular theory of the smectic A-smectic C transition in a system of biaxial molecules is developed in the mean-field approximation. The influence of molecular biaxiality on the transition is considered in detail and it is demonstrated how the biaxial order parameters are induced by the tilt. It is shown that the ordering of biaxial molecules of low symmetry in the smectic C phase is generally described by ten independent orientational order parameters, and there exist three different tilt angles which specify the tilt of three ordering tensors. The order parameters are calculated numerically as functions of temperature for two models of biaxial molecules: molecules with two principal axes and molecules with a pair of off-center transverse dipoles. A substantial difference between the three tilt angles is found, which makes impossible a strict definition of a unique director in the smectic C phase. It is also shown that biaxial interactions may lead to an anomalously weak layer contraction in ...
https://strathprints.strath.ac.uk/19607/
GRASSLIST:4825] Re: transition probabilityGRASSLIST:4825] Re: transition probability
On Saturday 13 November 2004 12:45 am, you wrote: , Dylan Beaudette wrote: , , If it hasnt, I am wondering if there are a couple of vector commands , , that could do the following: , , , , given an input polygon map of several categories, and a line drawn across , , these categories, , , , , 1. sample the polygon boundaries(and their respective category) that the , , line intersects , , , , 2. put the above information into a new vector line that contains line , , segments that have an attribute that matches the category of the polygon , , that they intersected. , , v.overlay , , Radim Seems that I just figured out the answer to my last question in regards to line vector types. However, I now have another perhaps more complicated problem.. i have two maps: t_1 = line map containing a single line fresno_west = ploygon map with many polygons, and mulitple attributes per polygon: ------------------------- db.describe -c fresno_west Column 1: cat Column 2: AREA Column 3: PERIMETER Column 4: ...
http://lists.osgeo.org/pipermail/grass-user/2004-November/027012.html
Modeling tools: PolygonsModeling tools: Polygons
Narrator] So I want to take a few minutes to look at…the primary modeling tools found in Maya.…Now this will not be a full exploratory video…just on all of the modeling tools inside of Maya,…but I did want to go over what the basic tools are…that I use primarily when modeling either polygons…or NURBs.…So the first thing Im going to do is come over to the right…and choose the modeling toolkit.…This is actually a place that has almost all…of the tools that youll need and Maya has them in one…nice, neat little area.… Now for my work view I typically like to drag this tab off…and put it right beside my channel box…in my attribute editor so that I still have access…to getting to specific channels and to my display layers…and having access to my modeling toolkit.…So the first tools that I want to talk about is the difference…between smoothing and sub-dividing and actually dividing…your object.…I have two cubes here on screen and Im going to select…the first ...
https://www.lynda.com/Maya-tutorials/Modeling-tools-Polygons/622047/680627-4.html
Polygon Resistance Loop Exercise Bands, Workout Flexbands for Physical Therapy, Rehab, Stretching, Home Fitness and More....
Polygon Resistance Loop Bands Features of the loop bands set: Easy to Use: Easy to use with the full-body workout manual guide. Portability: The lightweight and
https://tagatum.com/polygon-resistance-loop-exercise-bands-workout-flexbands-for-physical-therapy-rehab-stretching-home-fitness-and-more-natural-latex-elastic-fitness-bands-for-men-women-set-of-5/
Polygon rotation in UI for Silverlight Map - Telerik ForumsPolygon rotation in UI for Silverlight Map - Telerik Forums
Join a community of over 2.6m developers to have your questions answered on Polygon rotation of UI for Silverlight Map. New here? Start with our free trials.
https://www.telerik.com/forums/polygon-rotation
Reuleaux Polygons | 3D WarehouseReuleaux Polygons | 3D Warehouse
Curves of constant width. A line drawn through the center of the (inner) circle will always have the same edge-to-edge length between sides of the outer shape regardless of angle. Of course, Sketchup isnt precise enough to show this in micro-detail. #curve #Polygon #Reuleaux #symmetry
https://3dwarehouse.sketchup.com/model/6fecbdcab25cfefebff2805bfacb3e4e/Reuleaux-Polygons?hl=en
Polygon Medium Wire Table - Design Within ReachPolygon Medium Wire Table - Design Within Reach
Shop Polygon Medium Wire Table and see our wide selection of Side + End Tables at Design Within Reach. In stock, exclusive, and ready to ship -- authentic modern furniture from iconic designers.
https://www.dwr.com/living-side-end-tables/polygon-medium-wire-table/9111327.html?lang=en_US
Smoothing with less polygons - Blender.orgSmoothing with less polygons - Blender.org
Hi! Im new to Blender, I used to use 3dsmax, and I decided to give Blender a chance. My question is: is there any way to smooth a mesh without having to deal with thousands of polygons? In 3dsmax I would create a sphere with 32 segments and it would render 960 polys, really quickly. In Blender, the render looks smooth only after applying subsurf/catmull-clark with 3 subdiv, which renders 49600 polys! and given that I do this just for fun, and my pc is awful, it results in a considerable difference of time between 3dsmax and Blender... Is there anything I could do ...
https://www.blender.org/forum/viewtopic.php?f=43&t=27502&p=104959
Polygon - Wild West | 3D Environments | Unity Asset StorePolygon - Wild West | 3D Environments | Unity Asset Store
Elevate your workflow with the Polygon - Wild West asset from AnimPic Studio. Find this & other Environments options on the Unity Asset Store.
https://assetstore.unity.com/packages/3d/environments/polygon-wild-west-196987?aid=1011l37TN&pubref=7002&utm_source=aff
Quia - Polygons Formulas,Names and DescriptionQuia - Polygons Formulas,Names and Description
Enjoy this fun filled game and at the same time learn more and more about polygons formulas, but watch out you dont want to get hung!
https://www.quia.com/hm/28497.html
Author: Schruben, Paul G. / Publisher: Geological Survey (U.S.) / Access: Public / Place: 3 selected / Data type: Polygon /...Author: Schruben, Paul G. / Publisher: Geological Survey (U.S.) / Access: Public / Place: 3 selected / Data type: Polygon /...
1994. King, Philip B., Arndt, Raymond E., Schruben, Paul G., Bawiec, Walter J., and Beikman, Helen M. This polygon shapefile shows the boundaries of geologic units within the United States. This layer is part of the Geologic Map of the United States... Geological Survey (U.S.). ...
https://geodata.lib.berkeley.edu/?f%5Bdc_creator_sm%5D%5B%5D=Schruben%2C+Paul+G.&f%5Bdc_publisher_s%5D%5B%5D=Geological+Survey+%28U.S.%29&f%5Bdc_rights_s%5D%5B%5D=Public&f%5Bdct_spatial_sm%5D%5B%5D=Massachusetts&f%5Bdct_spatial_sm%5D%5B%5D=Arkansas&f%5Bdct_spatial_sm%5D%5B%5D=Alabama&f%5Blayer_geom_type_s%5D%5B%5D=Polygon&f%5Bsolr_year_i%5D%5B%5D=1994&per_page=100&sort=score+desc%2C+dc_title_sort+asc
News and press releases - Polygon GroupNews and press releases - Polygon Group
Polygon AB (publ) reg. no 556816-5855 (the Company) today announces the successful completion of its consent solicitation from the holders of the Companys outstanding up to maximum EUR 180,000,000 3M EURIBOR + 5.00% senior secured floating rate Notes due 2019 with a current outstanding total nominal amount of EUR 120,000,000 (ISIN SE0005878535) (the Notes), regarding certain amendments to the terms and conditions of the Notes (the Proposals). The Proposals became effective immediately as of 26 October 2016.. ...
https://www.polygongroup.com/news-and-pressreleases/?year=2016&month=10&category=28
Angles, Polygons, and Geometrical Proof 2D shapes and their propertiesAngles, Polygons, and Geometrical Proof 2D shapes and their properties
We have found 52 NRICH Mathematical resources connected to 2D shapes and their properties, you may find related items under Angles, Polygons, and Geometrical Proof
https://nrich.maths.org/public/topic.php?code=97&cl=2&cldcmpid=1924
POLYGON Dungeon Realms - Low Poly 3D Art by Synty | 3D Dungeons | Unity Asset StorePOLYGON Dungeon Realms - Low Poly 3D Art by Synty | 3D Dungeons | Unity Asset Store
Elevate your workflow with the ⚡POLYGON Dungeon Realms - Low Poly 3D Art by Synty asset from Synty Studios. Find this & other Dungeons options on the Unity Asset Store.
https://assetstore.unity.com/packages/3d/environments/dungeons/polygon-dungeon-realms-low-poly-3d-art-by-synty-189093?aid=1100lGfa&utm_source=aff
Mightex Polygon PluginMightex Polygon Plugin
See also: the MightexPolygon device adapter.). (Documentation to be written.). Click here to search for Polygon on the Micro-Manager mailing list archive.. ...
https://micro-manager.org/Mightex_Polygon_Plugin
News and press releases - Polygon GroupNews and press releases - Polygon Group
We have received your message and would like to thank you for writing to us. If your inquiry is urgent or country specific, please find your country office under http://www.polygongroup.com/ Global. Otherwise, we will get back to you shortly. Best regards Polygon International. ...
https://www.polygongroup.com/news-and-pressreleases/?year=2019&month=7&category=28
Split Polygon tool - Blender.orgSplit Polygon tool - Blender.org
I use blender since 6 years, i know all actually possiblity to make a split polygon using Knife tool. But it will be more quickly and more easy for 3damx and Maya users to use blender ...
https://www.blender.org/forum/viewtopic.php?t=8917
Polygonfarm.finance : PolygonFarm Finance: Lets Farm for SPADE on Polygon - HypeStatPolygonfarm.finance : PolygonFarm Finance: Lets Farm for SPADE on Polygon - HypeStat
PolygonFarm Finance is a Hybrid Yield Farm Aggregator Platform on Polygon Network | Polygonfarm - Polygonfarm.finance traffic statistics
https://hypestat.com/info/polygonfarm.finance
bedwynaely Profile and Activity - Polygonbedwynaely Profile and Activity - Polygon
Polygon is a gaming website in partnership with Vox Media. Our culture focused site covers games, their creators, the fans, trending stories and entertainment news.
https://www.polygon.com/users/bedwynaely
Storing a Collection of Polygons Using Quadtrees - PDFStoring a Collection of Polygons Using Quadtrees - PDF
Storing a Collection of Polygons Using Quadtrees HANAN SAMET University of Maryland and ROBERT E. WEBBER Rutgers University An adaptation of the quadtree data structure that represents polygonal maps (i.e.,
http://docplayer.net/307478-Storing-a-collection-of-polygons-using-quadtrees.html
Synthesis and biological evaluation of conformationally constrained analogues of the antitubercular agent ethambutol. - Inserm
Three (S)-prolinol-derived conformationally restricted analogues of the antitubercular agent ethambutol were prepared and tested against Mycobacterium tuberculosis.
https://www.hal.inserm.fr/inserm-00409609
An Overview of Self-Consistent Field Calculations Within Finite Basis Sets
A uniform derivation of the self-consistent field equations in a finite basis set is presented. Both restricted and unrestricted Hartree-Fock (HF) theory as well as various density functional approximations are considered. The unitary invariance of the HF and density functional models is discussed, paving the way for the use of localized molecular orbitals. The self-consistent field equations are derived in a non-orthogonal basis set, and their solution is discussed also in the presence of linear dependencies in the basis. It is argued why iterative diagonalization of the Kohn-Sham-Fock matrix leads to the minimization of the total energy. Alternative methods for the solution of the self-consistent field equations via direct minimization as well as stability analysis are briefly discussed. Explicit expressions are given for the contributions to the Kohn-Sham-Fock matrix up to meta-GGA functionals. Range-separated hybrids and non-local correlation functionals are summarily reviewed ...
https://helda.helsinki.fi/handle/10138/315226
Density Functional Theory study of alloy interstitials in Al<...
TY - JOUR. T1 - Density Functional Theory study of alloy interstitials in Al. AU - Klaver, Peter. AU - Chen, J.H.. PY - 2003. Y1 - 2003. M3 - Article. VL - 10. SP - 155. EP - 162. JO - Journal of Computer-Aided Materials Design. JF - Journal of Computer-Aided Materials Design. SN - 0928-1045. ER - ...
https://pure.qub.ac.uk/en/publications/density-functional-theory-study-of-alloy-interstitials-in-al
A computational scheme of p: K a values based on the three-dimensional reference interaction site model self-consistent field...
TY - JOUR. T1 - A computational scheme of p. T2 - K a values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme. AU - Fujiki, Ryo. AU - Kasai, Yukako. AU - Seno, Yuki. AU - Matsui, Toru. AU - Shigeta, Yasuteru. AU - Yoshida, Norio. AU - Nakano, Haruyuki. PY - 2018/1/1. Y1 - 2018/1/1. N2 - A scheme for quantitatively computing the acid dissociation constant, pKa, of hydrated molecules is proposed. It is based on the three-dimensional reference interaction site model self-consistent field (3D-RISM-SCF) theory coupled with the linear fitting correction (LFC) scheme. In LFC/3D-RISM-SCF, pKa values of target molecules are evaluated using the Gibbs energy difference between the protonated and unprotonated states calculated by 3D-RISM-SCF and the parameters fitted by the LFC scheme to the experimental values of training set systems. The pKa values computed by LFC/3D-RISM-SCF show quantitative agreement with the ...
https://kyushu-u.pure.elsevier.com/en/publications/a-computational-scheme-of-p-k-subasub-values-based-on-the-three-d
Polygon - Simple English Wikipedia, the free encyclopediaPolygon - Simple English Wikipedia, the free encyclopedia
A polygon is a closed two-dimensional shape. It is a simple curve that is made up of straight line segments. It usually has three sides/corners or more. It could also be referred to as A closed plane figure bound by three or more straight line segments. It has a number of edges. These edges are connected by lines. A square is a polygon because it has four sides. The smallest possible polygon in a Euclidean geometry or flat geometry is the triangle, but on a sphere, there can be a digon and a henagon. If the edges (lines of the polygon) do not intersect (cross each other), the polygon is called simple, otherwise it is complex. In computer graphics, polygons (especially triangles) are often used to make graphics. ...
https://simple.wikipedia.org/wiki/Triacontahenagon
Deleting polygon within polygon of same feature from raster conversion using ArcGIS Pro - Geographic Information Systems Stack...Deleting polygon within polygon of same feature from raster conversion using ArcGIS Pro - Geographic Information Systems Stack...
Instead of creating a polygon layer that has orange polygons that represent only coral material, the raster to polygon tool instead fills in the space inside of coral material polygons that is supposed to be substrate to also be representative of coral material. This is incorrect.. Is there anyway that I can either:. ...
https://gis.stackexchange.com/questions/380887/deleting-polygon-within-polygon-of-same-feature-from-raster-conversion-using-arc
Materials | Free Full-Text | Photo-Induced Phase Transitions to Liquid Crystal Phases: Influence of the Chain Length from C8E4...Materials | Free Full-Text | Photo-Induced Phase Transitions to Liquid Crystal Phases: Influence of the Chain Length from C8E4...
Photo-induced phase transitions are characterized by the transformation from phase A to phase B through the absorption of photons. We have investigated the mechanism of the photo-induced phase transitions of four different ternary systems CiE4/alkane (i) with n = 8, 10, 12, 14; cyclohexane/H2O. We were interested in understanding the effect of chain length increase on the dynamics of transformation from the microemulsion phase to the liquid crystal phase. Applying light pump (pulse)/x-ray probe (pulse) techniques, we could demonstrate that entropy and diffusion control are the driving forces for the kind of phase transition investigated.
https://www.mdpi.com/1996-1944/2/3/1305
Density Functional Theory Study on the Formation Mechanism of Isolated-Pentagon-Rule C<sub>100</sub>(417)Cl...
Abstract: A new isolated-pentagon-rule (IPR) C100(417)Cl28 has been captured, but its formation mechanism is still unclear. Herein we have used density functional theory (DFT) to study the possible reaction pathways, including Stone-Wales (SW) transformation, direct chlorination, and skeletal transformation for C100(417). The calculated results show that the major source of C100(417) is the skeletal transformation of C102(603), including chloride formation, C2 elimination, and SW transformation. The results satisfactorily explained the experimental observations, and provide useful guidance for the synthesis of fullerene chlorides.. Key words: Density functional theory, Fullerene chloride, Skeletal transformation ...
http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB201708071
Vibrational Simulation of the Biological Systems--Normal Modes Analysis and Stochastic Vibrational Self-consistent Field...Vibrational Simulation of the Biological Systems--Normal Modes Analysis and Stochastic Vibrational Self-consistent Field...
The present research focuses on the vibrational simulation of the biological systems, including the harmonic-level normal modes analysis and the anharmonic-level vibrational self-consistent field (VSCF) calculation. Normal modes analysis was performed on a large biomolecule--ricin-A-chain (RTA)--in both apo- (no substrate) and holo- (adenosine monophosphate (AMP)-bound) state. It revealed that the shearing motion was shared by both apo- and holo-RTAs, whereas the breathing motion, as well as the upward hinge and the α-G bending characteristic motions, was dampened by substrate binding. We hypothesize that the breathing, α-G bending and upward hinging motions play an important role in substrate binding as these motions facilitate the entry of the substrate and provide space for the substrate realignment that is necessary for the depurination. The VSCF calculations, which were typically restricted to small systems, were performed in the present research on a moderate biomolecule--the VA-class ...
http://contentdm.ad.umbc.edu/cdm/singleitem/collection/ETD/id/24234/rec/3
Visual Acuity: Algorithm to sort edge list of simple polygon for 2D and 3DVisual Acuity: Algorithm to sort edge list of simple polygon for 2D and 3D
Sometimes it is handy to sort an edge list. In this case I needed an algorithm to test for concavity of a simple 3D polygon with just one face. You can also apply the procedure on 2D because it just sorts an edge list that could contain either 2D or 3D vertices.. The polygons were made in Blender v.2.67, so the script had to be written in Python and executed via the Run Script button in the text editor. I didnt want to use fancy algorithms to sort edges because were dealing with simple polygons, so I ended up writing my own. As a side note, the edge-angle checkbox in Blender, which can be used to see if a polygon is convex or concave didnt work for me, so I had no other choice but to first sort edges before I can apply angle calculations on consecutive vertices. Suggestions for improvements are welcome and hopefully it helps someone else who had to deal with the same (or similar) issues in Blender!. The basic idea is that you build up your sorted edge list e step by step, starting by adding a ...
https://www.visualacuity.nl/2014/01/algorithm-to-sort-edge-list-of-cyclic.html
Cascaded energy redistribution upon O-H stretching excitation in an intramolecular hydrogen bond | SpringerLinkCascaded energy redistribution upon O-H stretching excitation in an intramolecular hydrogen bond | SpringerLink
We demonstrate in a combined two-color pump-probe and quantum dynamical study that population of the O-H stretching oscillator of a medium-strong intramolecular hydrogen bond is redistributed along th
https://link.springer.com/chapter/10.1007%2F3-540-27213-5_119
Can I define regions of different mesh sizes inside a polygon in CST MWS?Can I define regions of different mesh sizes inside a polygon in CST MWS?
Hello everyone. I have an electrically very large polygon and innevitably the generated mesh is very large wich leads to impractical large simulation time. What i did was to seperate the polygon in 3 rings so i created first an outter ring and defined a local fine mesh(lamda/10) then i created the second ring and defined a more coarse mesh(lamda/6) and defined the rest of the region as a polygon of mesh cell size lamda/4. But the thing is that when i merge the 3 parts to perform the simulation
https://www.edaboard.com/showthread.php?387063-Can-I-define-regions-of-different-mesh-sizes-inside-a-polygon-in-CST-MWS&s=1548cce9325356374ac37acd8400332c&p=1664342
1H, 13C and 31P n.m.r. spectra and molecular conformation of myo-inositol 1,4,5-triphosphate | Biochemical Journal1H, 13C and 31P n.m.r. spectra and molecular conformation of myo-inositol 1,4,5-triphosphate | Biochemical Journal
Thank you for your interest in spreading the word about Biochemical Journal.. NOTE: We only request your email address so that the person you are recommending the page to knows that you wanted them to see it, and that it is not junk mail. We do not capture any email address.. ...
http://www.biochemj.org/content/233/1/275
Download Molecular Conformation And Organic Photochemistry Time Resolved Photoionization Studies
never, when Zn indicated studied in intermediate at 250 download molecular Zn on DM graph, historical seasonality of were invited with the removable period in chelation: reference study, and galaxy climate was matched equatorially to Optimized daughter ability. commonly, when Zn caused updated to get a law of 470 JavaScript on DM center, a water for online DM diversity inferred run. information when Zn were measured to dithiocarbamates as Zn adaptation or Zn novel taken with ZnSO4 at Strategies closer to oral practices( 20 Convolution).
http://prigsbee.com/Hawaii/freebooks/download-molecular-conformation-and-organic-photochemistry%3A-time-resolved-photoionization-studies.htm
Figure Eights Mbius Bands and More Conformation and Aromaticity of Porphyrinoids.Figure Eights Mbius Bands and More Conformation and Aromaticity of Porphyrinoids.
Reviews M. Ste?pien?, L. Latos-Graz?yn?ski, and N. Sprutta DOI: 10.1002/anie.201003353 Porphyrinoids Figure Eights, Mbius Bands, and More: Conformation and Aromaticity of Porphyrinoids** Marcin Ste?pien?,* Natasza Sprutta, and Lechos?aw Latos-Graz?yn?ski* Keywords: aromaticity и chemical topology и conformational analysis и NMR spectroscopy и porphyrinoids Dedicated to Professor Alan L. Balch on the occasion of his 70th birthday Angewandte Chemie 4288 www.angewandte.org 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim Angew. Chem. Int. Ed. 2011, 50, 4288 ? 4340 Porphyrinoids The aromatic character of porphyrins, which has significant chemical and biological consequences, can be substantially altered by judicious modifications of the parent ring system. Expansion of the macrocycle, which is achieved by introducing additional subunits, usually increases the so-called free curvature of the ring, leading to larger angular strain. This strain is reduced by a variety of conformational changes, most ...
https://www.docme.ru/doc/1934716/figure-eights--mbius-bands--and-more--conformation-and-ar..
Microstructure and Phase Behavior in Colloids and Liquid Crystals by Matthew Alan LohrMicrostructure and Phase Behavior in Colloids and Liquid Crystals by Matthew Alan Lohr
This thesis describes our investigation of microstructure and phase behavior in colloids and liquid crystals. The first set of experiments explores the phase behavior of helical packings of thermoresponsive microspheres inside glass capillaries as a function of volume fraction. Stable helical packings are observed with long-range orientational order. Some of these packings evolve abruptly to disordered states as the volume fraction is reduced. We quantify these transitions using correlation functions and susceptibilities of an orientational order parameter. The emergence of coexisting metastable packings, as well as coexisting ordered and disordered states, is also observed. These findings support the notion of phase-transition-like behavior in quasi-one-dimensional systems. The second set of experiments investigates cross-over behavior from glasses with attractive interactions to sparse gel-like states. In particular, the vibrational modes of quasi-two-dimensional disordered colloidal packings of hard
https://repository.upenn.edu/edissertations/1351/
Identifying Polygons | Worksheet | Education.comIdentifying Polygons | Worksheet | Education.com
What makes a polygon? Get your child in gear for geometry with this shape-shifting worksheet! Color code these shapes to show which ones are polygons.
https://www.education.com/worksheet/article/identifying-polygons-1/
Johnny Polygon - Day Dreamin - DJBooth
Artist: Johnny Polygon Track: Day Dreamin Producer: Oklahoma Album: Group Hug (Bonus Track) Johnny Polygons a hard emcee to pin down, but one things for
https://djbooth.net/songs/johnny-polygon-day-dreamin
Dihedral angle - WikipediaDihedral angle - Wikipedia
In chemistry, a torsion angle is defined as a particular example of a dihedral angle, describing the geometric relation of two parts of a molecule joined by a chemical bond.[4][5] Every set of three not-colinear atoms of a molecule defines a plane. When two such planes intersect (i.e., a set of four consecutively-bonded atoms), the angle between them is a dihedral angle. Dihedral angles are used to specify the molecular conformation.[6] Stereochemical arrangements corresponding to angles between 0° and ±90° are called syn (s), those corresponding to angles between ±90° and 180° anti (a). Similarly, arrangements corresponding to angles between 30° and 150° or between −30° and −150° are called clinal (c) and those between 0° and ±30° or ±150° and 180° are called periplanar (p). The two types of terms can be combined so as to define four ranges of angle; 0° to ±30° synperiplanar (sp); 30° to 90° and −30° to −90° synclinal (sc); 90° to 150° and −90° to −150° ...
https://en.m.wikipedia.org/wiki/Dihedral_angle
View source - NWChem
NOTITLE__ =Hartree-Fock= The NWChem self-consistent field (SCF) module computes closed-shell restricted Hartree-Fock (RHF) wavefunctions, restricted high-spin open-shell Hartree-Fock (ROHF) wavefunctions, and spin-unrestricted Hartree-Fock (UHF) wavefunctions. The Hartree-Fock equations are solved using a conjugate-gradient method with an orbital Hessian based preconditioner,ref>Wong, A. T. and Harrison, R. J. (1995) Approaches to large-scale parallel self-consistent field calculation, J. Comp. Chem. 16, 1291-1300, doi: [http://dx.doi.org/10.1002/jcc.540161010 10.1002/jcc.540161010],/ref>. The module supports both replicated data and distributed data Fock builders,ref>Foster, I. T.; Tilson, J. L.; Wagner, A. F.; Shepard, R. L.; Harrison, R. J.; Kendall, R. A. and Littlefield, R. J. (1996) Toward high-performance computational chemistry: I. Scalable Fock matrix construction algorithms, J. Comp. Chem. 17, 109-123, doi: ...
http://www.nwchem-sw.org/index.php?title=Release66:Hartree-Fock_Theory_for_Molecules&action=edit
TCDB » SEARCHTCDB » SEARCH
1.D.148. The Synthetic Ion Channel Formed by Multiblock Amphiphile with Anisotropic Dual-Stimuli-Responsiveness (ChMAAR) Family. Inspired by the structures and functions of natural ion channels that can respond to multiple stimuli in an anisotropic manner, Sasaki et al. 2021 developed multiblock amphiphile VF. When VF was incorporated into lipid bilayer membranes, VF formed a supramolecular ion channel whose ion transport properties were controllable by the polarity and amplitude of the applied voltage. Microscopic emission spectroscopy revealed that VF changed its molecular conformation in response to the applied voltage. Furthermore, the ion transport property of VF could be reversibly switched by the addition of (R)-propranolol, an aromatic amine known as an antiarrhythmic agent, followed by the addition of beta-cyclodextrin for its removal. The highly regulated orientation of VF allowed for an anisotropic dual-stimuli-responsiveness as a synthetic ion channel (Sasaki et al. 2021). ...
https://tcdb.org/search/result.php?tc=1.D.148
CGU: An Algorithm for Molecular Structure Prediction | Springer for Research & DevelopmentCGU: An Algorithm for Molecular Structure Prediction | Springer for Research & Development
A global optimization method is presented for predicting the minimum energy structure of small protein-like molecules. This method begins by collecting a large number of molecular conformations, each...
https://rd.springer.com/chapter/10.1007/978-1-4612-0693-4_1
SETI.USA Forums - [email protected]
Description:[email protected] is a research project that uses Internet-connected computers to solve challenging large-scale optimization problems. The goal of optimization is to find a minimum (or maximum) for a given function. This topic is perfectly explained in the Internet. See for example excellent explanation by Arnold Newumaier. Many practical problems are reduced to the global optimization problems. At the moment this project runs an application that is aimed at solving molecular conformation problem. This is a very challenging global optimization problem consisting in finding the atomic cluster structure that has the minimal possible potential energy. Such structures plays an important role in understanding the nature of different materials, chemical reactions and other fields ...
http://www.setiusa.us/content.php?318-optima-home&s=dcc500dd0e7d92c9fd9fd1b466469bcd
CiteSeerX - MAXIMIZING VISIBILITY IN NONCONVEX POLYGONS: NONSMOOTH ANALYSIS AND GRADIENT ALGORITHM DESIGNCiteSeerX - MAXIMIZING VISIBILITY IN NONCONVEX POLYGONS: NONSMOOTH ANALYSIS AND GRADIENT ALGORITHM DESIGN
CiteSeerX - Document Details (Isaac Councill, Lee Giles, Pradeep Teregowda): Abstract. This paper presents a motion control algorithm for a planar mobile observer such as, e.g., a mobile robot equipped with an omni-directional camera. We propose a nonsmooth gradient algorithm for the problem of maximizing the area of the region visible to the observer in a simple nonconvex polygon. First, we show that the visible area is almost everywhere a locally Lipschitz function of the observer location. Second, we provide a novel version of LaSalle Invariance Principle for discontinuous vector elds and Lyapunov functions with a nite number of discontinuities. Finally, we establish the asymptotic convergence properties of the nonsmooth gradient algorithm and we illustrate numerically its performance. 1. Introduction. Consider
https://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.607.7519
hgeometry: Geometric Algorithms, Data structures, and Data types.hgeometry: Geometric Algorithms, Data structures, and Data types.
data Polygon (t :: PolygonType) p r where SimplePolygon :: C.CList (Point 2 r :+ p) -, Polygon Simple p r MultiPolygon :: C.CList (Point 2 r :+ p) -, [Polygon Simple p r] -, Polygon Multi p r ``` In all places this extra data is accessable by the (:+) type in Data.Ext, which is essentially just a pair. Reading and Writing Ipe files ----------------------------- Apart from geometric types, HGeometry provides some interface for reading and writing Ipe (http://ipe.otfried.org). However, this is all very work in progress. Hence, the API is experimental and may change at any time ...
http://hackage.haskell.org/package/hgeometry-0.5.0.0
hgeometry: Geometric Algorithms, Data structures, and Data types. | Hackagehgeometry: Geometric Algorithms, Data structures, and Data types. | Hackage
data Polygon (t :: PolygonType) p r where SimplePolygon :: C.CList (Point 2 r :+ p) -, Polygon Simple p r MultiPolygon :: C.CList (Point 2 r :+ p) -, [Polygon Simple p r] -, Polygon Multi p r ``` In all places this extra data is accessable by the (:+) type in Data.Ext, which is essentially just a pair. Reading and Writing Ipe files ----------------------------- Apart from geometric types, HGeometry provides some interface for reading and writing Ipe (http://ipe.otfried.org). However, this is all very work in progress. Hence, the API is experimental and may change at any time ...
http://hackage.haskell.org/package/hgeometry-0.5.0.0/candidate
Format: Shapefile / Subject: Bodies of water and Oceans / Place: 5 selected / Data type: Polygon - GeoData @ UCB Search ResultsFormat: Shapefile / Subject: Bodies of water and Oceans / Place: 5 selected / Data type: Polygon - GeoData @ UCB Search Results
2011. United States. Bureau of the Census. Geography Division and United States. Bureau of Transportation Statistics. This polygon shapefile depicts hydrography coverages that were created using TIGER/Line 2000 shapefile data gathered from ESRIs Geography Network.... United States. Bureau of Transportation Statistics. ...
https://geodata.lib.berkeley.edu/?f%5Bdc_format_s%5D%5B%5D=Shapefile&f%5Bdc_subject_sm%5D%5B%5D=Bodies+of+water&f%5Bdc_subject_sm%5D%5B%5D=Oceans&f%5Bdct_spatial_sm%5D%5B%5D=United+States&f%5Bdct_spatial_sm%5D%5B%5D=American+Samoa&f%5Bdct_spatial_sm%5D%5B%5D=Guam&f%5Bdct_spatial_sm%5D%5B%5D=Washington+%28D.C.%29&f%5Bdct_spatial_sm%5D%5B%5D=United+States+Virgin+Islands&f%5Blayer_geom_type_s%5D%5B%5D=Polygon&per_page=50&sort=score+desc%2C+dc_title_sort+asc
Appbar.vector.polygon icon PNG, ICO or ICNS | Free vector iconsAppbar.vector.polygon icon PNG, ICO or ICNS | Free vector icons
Download Appbar.vector.polygon Icon vector now. Browse through more appbar and vector related vectors and icons. Available in PNG, ICO or ICNS icon for Mac.
https://findicons.com/icon/571340/appbar_vector_polygon
Collection: India Village-Level Geospatial Socio-Economic Data Set / Place: Bihar, India / Data type: Polygon - University of...Collection: India Village-Level Geospatial Socio-Economic Data Set / Place: Bihar, India / Data type: Polygon - University of...
2001. This polygon shapefile represents represents socioeconomic statistics of each village in the state of Bihar in 2001. The set utilizes the official ... Socioeconomic Data and Applications Center. ...
https://geodata.lib.utexas.edu/?f%5Bdct_isPartOf_sm%5D%5B%5D=India+Village-Level+Geospatial+Socio-Economic+Data+Set&f%5Bdct_spatial_sm%5D%5B%5D=Bihar%2C+India&f%5Blayer_geom_type_s%5D%5B%5D=Polygon&per_page=50&sort=score+desc%2C+dc_title_sort+asc
Polygon with ThumbsPolygon with Thumbs
when i move thumb so, that bounding rect is the same size as before moving (its not easy to move it so in triangle, but if theres more corners, its easier to find movements, when bounding rect size doesnt change), my polygon isnt redrawing ...
https://social.msdn.microsoft.com/Forums/en-US/adb1d400-2e49-4d69-9526-bf5657d28e21/polygon-with-thumbs?forum=wpf
ASE 1024 Polygon Smoothing Limit
Some notes on a problem with .ase models with more than 1024 polygons and smoothing groups not lighting properly for both vertex lighting and lightmaps.
http://robotrenegade.com/articles/ase-1024-polygon-smoothing-limit.html
The Walking Dead Pinball - PolygonThe Walking Dead Pinball - Polygon
Polygon is a gaming website in partnership with Vox Media. Our culture focused site covers games, their creators, the fans, trending stories and entertainment news.
https://www.polygon.com/2014/8/13/5998269/walking-dead-pinball-screenshots
APS -APS March Meeting 2012 - Event - Experiments on ordering transitions in mechanically stable structures of granular rodsAPS -APS March Meeting 2012 - Event - Experiments on ordering transitions in mechanically stable structures of granular rods
We investigated the evolution of granular rods from mechanically stable disordered to crystalline states in response to vibrations. We obtained positions and orientations of the rods in three dimensions using micro-focus X-ray Computed Tomography. Above a critical aspect ratio, we find that rods align vertically in layers with hexagonal order within a layer, independent of the shape of the container and details of the form of vibration. We also quantitatively study the evolution of local and global ordering using density pair correlation function $g(r)$ and orientational order parameter $q_{6}$ as a function of aspect ratio. As the system compacts, local structures emerge and grow, their size and orientation being dependent on volume fraction. Although the initial nucleation of order occurs along the boundaries, we show that the geometry of boundaries have little overall effect on the observed ordering transition. Finally we show that configuration entropy arguments do not play a significant ...
http://meetings.aps.org/Meeting/MAR12/Event/167347
Trisodium Trimetaphosphimate MonohydrateTrisodium Trimetaphosphimate Monohydrate
The trimetaphosphimate anion (PO2NH)33- in trisodium cyclo-tri--imidotriphosphate monohydrate, Na3(PO2NH)3.H2O, exhibits a chair conformation. Two trimetaphosphimate rings are linked to each other by six N-HO hydrogen bonds forming pairs. These units are interconnected by O-HO hydrogen bonds through water molecules forming columns. ...
https://epub.ub.uni-muenchen.de/14495/
Conformational restriction involving formyl CH…F hydrogen bonds. | Henry Rzepas Blog
Reading ModeThe title of this post paraphrases E. J. Coreys article in 1997 (DOI: 10.1016/S0040-4039(96)02248-4) which probed the origins of conformation restriction in aldehydes. The proposal was of (then) unusual hydrogen bonding between the O=C-H…F-B groups. Here I explore whether the NCI (non-covalent-interaction) method can be used to cast light on this famous example of how […]
https://www.ch.imperial.ac.uk/rzepa/blog/?p=4254
Modern Conformational Analysis. Elucidating Novel Exciting Molecular Structures. Edition No. 1. Methods in Stereochemical...Modern Conformational Analysis. Elucidating Novel Exciting Molecular Structures. Edition No. 1. Methods in Stereochemical...
Modern Conformational Analysis. Elucidating Novel Exciting Molecular Structures. Edition No. 1. Methods in Stereochemical Analysis
https://www.researchandmarkets.com/reports/2175372/modern_conformational_analysis_elucidating_novel
Absolute Configuration With Electrons | In the PipelineAbsolute Configuration With Electrons | In the Pipeline
When I first wrote about small-molecule structures obtained by microED (electron diffraction), I wondered if there were some way to get absolute stereochemistry
https://blogs.sciencemag.org/pipeline/archives/2019/05/20/absolute-configuration-with-electrons?replytocom=305014
CiNii Articles - Synthesis of p-Nitrophenyl 3- and 6-deoxy-α-D-glucopyranosides and Their Specificity to Rice α...
α-グルコシダーゼの基質特異性を解明するため,PNPα-D-gucopyranosie(1)の3-デオキシ体と6-デオキシ体(新規化合物)をMethyl α-D-glucopyranosideからそれぞれ7および4工程で合成した.1HNMRおよび分子力場計算から,これらも1と同様に重水中で4C1イス型構造を維持していることを確認した.これらを含むPNPα-D-glucopyranosideの4種のデオキシ体に対するrice由来α-glucosidaeの加水分解活性を測定した結果,3-,4-,および6-デオキシ体は加水分解されなかったが,2-デオキシ体はよく加水分解された.そこで,1および2-デオキシ基質について反応速度論的な解析を行った.. 3- and 6-Monodeoxy derivatives of ρ-nitrophenyl (PNP) α-D-glucopyranoside (1) were prepared from methyl α-D-glucopyranoside and confirmed to retain 4C1 chair conformations in D2O by 1H-NMR. Rice α-glucosidase did not hydrolyze the 3-, 4- and 6-deoxy derivatives of 1, but revealed high ...
https://ci.nii.ac.jp/naid/10008259494
Geo::TigerLine::Record::I - search.cpan.orgGeo::TigerLine::Record::I - search.cpan.org
Record Type I - Link Between Complete Chains and Polygons Field BV Fmt Type Beg End Len Description RT No L A 1 1 1 Record Type VERSION No L N 2 5 4 Version Number FILE No L N 6 10 5 File Code TLID No R N 11 20 10 TIGER/Line ID, Permanent 1-Cell Number TZIDS No R N 21 30 10 TIGER ID, Start, Permanent Zero-Cell Number TZIDE No R N 31 40 10 TIGER ID, End, Permanent Zero-Cell Number CENIDL Yes L A 41 45 5 Census File Identification Code, Left POLYIDL Yes R N 46 55 10 Polygon Identification Code, Left CENIDR Yes L A 56 60 5 Census File Identification Code, Right POLYIDR Yes R N 61 70 10 Polygon Identification Code, Right RS-I4 Yes L A 71 80 10 Reserved Space I-4 FTSEG Yes L A 81 97 17 FTSeg ID (AAAAA.O.XXXXXXXXX) (Authority-S-ID) FGDC Transportation ID Standard (not filled) RS-I1 Yes L A 98 107 10 Reserved Space I1 RS-I2 Yes L A 108 117 10 Reserved Space I2 RS-I3 Yes L A 118 127 10 Reserved Space ...
http://search.cpan.org/~ezarko/Geo-TigerLine-0.03/lib/Geo/TigerLine/Record/I.pm
Blizzcon 2013 RecapBlizzcon 2013 Recap
Blizzcon 2013 Recap We have included a few points from each of the Warlords of Draenor panels, but there is a lot more information in each post. New Character Models The old Dwarf male has 1,160 polygons and was mirrored on both sides. The new model is 7,821 polygons and has higher texture resolutions. The face doesnt have to be symmetrical anymore. They went 956 to 5,408 polygons on the Gnomes. 130 to 196 bones. Texture resolution was 2 to 5x higher depending on the area of the body.
https://www.mmo-champion.com/threads/1390236-Blizzcon-2013-Recap
SPEC CFP2006 Benchmark DescriptionsSPEC CFP2006 Benchmark Descriptions
Gamess implements a wide range of quantum chemical computations. For the SPEC workload, self-consistent field calculations are performed using the Restricted Hartree Fock method, Restricted open-shell Hartree-Fock, and Multi-Configuration Self-Consistent ...
http://open.spec.org/cpu2006/CFP2006/
Losartans affinity to fluid bilayers modulates lipid-cholesterol interactionsLosartans affinity to fluid bilayers modulates lipid-cholesterol interactions
A free platform for explaining your research in plain language, and managing how you communicate around it - so you can understand how best to increase its impact.
https://www.growkudos.com/publications/10.1039%25252Fc2cp40134g/reader
Sulphur is fun to draw | Máirín DuffySulphur is fun to draw | Máirín Duffy
I really like drawing sulphur in Inkscape. :) I came up with an easy way to do it. Basically you use the star/polygon tool in polygon mode. Set it to make 6- or 7-sided polygons, spoke ratio should be at about .8, rounding should be at 0, crank random up to .17. Then draw a…
https://mairin.wordpress.com/2008/02/05/sulphur-is-fun-to-draw/?like=1&source=post_flair&_wpnonce=428bad2630
Sulphur is fun to draw | Máirín DuffySulphur is fun to draw | Máirín Duffy
I really like drawing sulphur in Inkscape. :) I came up with an easy way to do it. Basically you use the star/polygon tool in polygon mode. Set it to make 6- or 7-sided polygons, spoke ratio should be at about .8, rounding should be at 0, crank random up to .17. Then draw a…
https://mairin.wordpress.com/2008/02/05/sulphur-is-fun-to-draw/?like=1&source=post_flair&_wpnonce=b19f116cf4
Questions about Conformations and Energy ProfilesQuestions about Conformations and Energy Profiles
Another example of the initial conformer affecting systematic results can be found by inspecting an 8 member carbon chain: C1-C2-C3-C4-C5-C6-C7-C8. For illustrative purposes consider the central C4-C5 bond as we rotate it 360 degrees; from -180 to 180 degrees. If one starts in the all trans conformation, we find that as we rotate the C4-C5 bond the final conformation of 360 degrees is identical to the initial at 0 degrees. However, if the initial conformation had a number of kinks in it, we might discover that at the 120 degree mark, the C1 and C8 ran into each other. To relieve this steric problem the other dihedral angles, will relax, likely changing by more than 100 degrees and falling into new energy wells. As we continue the coordinate driving of the central C4-C5 angle to trans (180), we might find that the final conformation is not the same as the initial conformation because these other dihedrals have changed ...
http://www.wavefun.com/japan/support/help/Conformer_Overview.html
Orientational order and vesicle shape - pdf descargar
Orientational order and vesicle shape. . Biblioteca virtual para leer y descargar libros, documentos, trabajos y tesis universitarias en PDF. Material universiario, documentación y tareas realizadas por universitarios en nuestra biblioteca. Para descargar gratis y para leer online.
http://libros.duhnnae.com/2017/jun8/149824337224-Orientational-order-and-vesicle-shape-.php
Liquid-crystalline Functional Assemblies And Their Supramolecular Structures (ISBN) 3540778667 Lowest Price - Home & Cash on...
Buy Liquid-crystalline Functional Assemblies And Their Supramolecular Structures (ISBN) 3540778667 at best cost range online in India. Get lowest price deal, free home delivery & cash on delivery.
http://www.shopbychoice.com/liquid-crystalline-functional-assemblies-and-their-supramolecular-structures/p/TVRReU5URT0
The molecular packing of the title compound. Dashed lin | Open-iThe molecular packing of the title compound. Dashed lin | Open-i
The molecular packing of the title compound. Dashed lines indicate the C-H···π intramolecular contacts [Symmetry codes: (i) -x, -y, -z; (ii) 1 + x, +y, +z
https://openi.nlm.nih.gov/detailedresult.php?img=PMC2960190_e-64-0o493-fig2&req=4
SEES:lab
The reaction between the HO radical and (H2O)n (n = 1, 3) clusters has been investigated employing high-level quantum mechanical calculations using DFT-BH&HLYP, QCISD, and CCSD(T) theoretical approaches in connection with the 6-311 + G(2df,2p), aug-cc-pVTZ, and aug-cc-pVQZ basis sets. The rate constants have also been calculated and the tunneling. .... Read more ...
http://seeslab.info/publications/
perplexus.info :: Shapes : Touching polygons
1a. What is the least number of identical squares that can be placed in a plane such that each shares a side with exactly two others?. 1b. What is the least number of identical squares that can be placed in a plane such that each shares a side with at least one other and they form a contiguous region with no rotation or reflection symmetry?. 1c. What is the least number of identical squares that can be placed in a plane such that each shares a side with exactly two others and they form a contiguous region with no rotation or reflection symmetry?. 2a-c. Same as 1a-c. but replace squares with equilateral triangles. 3a-c. Same as 1a-c. but replace squares with regular hexagons ...
http://perplexus.info/show.php?pid=8312&cid=51104
NaphthaleneNaphthalene
Dieter Cremer; Thomas Schmidt; Charles W. Bock (1985). "Theoretical determination of molecular structure and conformation. 14. ...
https://en.wikipedia.org/wiki/Naphthalene
Bicyclo(6.2.0)decapentaeneBicyclo(6.2.0)decapentaene
"Theoretical determination of molecular structure and conformation. 14. Is bicyclo[6.2.0]decapentaene aromatic or antiaromatic ...
https://en.wikipedia.org/wiki/Bicyclo(6.2.0)decapentaene
Neuromuscular-blocking drugNeuromuscular-blocking drug
Lee, C.; Jones, T. (2002). "Molecular conformation-activity relationship of decamethonium congeners". British Journal of ... In general, molecular rigidity contributes to potency, while size affects whether a muscle relaxant shows a polarizing or a ... Comparing molecular lengths, the pachycurares dimethyltubocurarine and d-tubocurarine both are very rigid and measure close to ... Mivacurium for example has a molecular length of 3.6 nm when stretched out, far from the 2 to 2.1 nm optimum. Mivacurium, ...
https://en.wikipedia.org/wiki/Neuromuscular-blocking_drug
DecamethoniumDecamethonium
"Molecular conformation-activity relationship of decamethonium congeners". British Journal of Anaesthesia. 88 (5): 692-9. doi: ...
https://en.wikipedia.org/wiki/Decamethonium
AldosteroneAldosterone
Duax, William L.; Hauptman, Herbert (1972). "Crystal structure and molecular conformation of aldosterone". J. Am. Chem. Soc. 94 ... A Cellular And Molecular Approaoch. Elsevier/Saunders. p. 1300. ISBN 1-4160-2328-3. Williams GH, Dluhy RG (November 1972). " ... Molecular and Cellular Endocrinology. 217 (1-2): 1-21. doi:10.1016/j.mce.2003.10.004. PMID 15134795. S2CID 5738857. Williams JS ... "Cellular and Molecular Mechanisms of Chronic Kidney Disease with Diabetes Mellitus and Cardiovascular Diseases as Its ...
https://en.wikipedia.org/wiki/Aldosterone
TetrahydrofuranTetrahydrofuran
Cremer, Dieter (1983). "Theoretical Determination of Molecular Structure and Conformation. XI. The Puckering of Oxolanes". ... For example, it can be used to dissolve polymers prior to determining their molecular mass using gel permeation chromatography ... Although THF is traditionally dried by distillation from an aggressive desiccant, molecular sieves are superior. In the ...
https://en.wikipedia.org/wiki/Tetrahydrofuran
Estramustine phosphateEstramustine phosphate
"Molecular conformation of estramustine and two analogues". Mol. Pharmacol. 41 (3): 569-76. PMID 1545778. Hauser AR, Merryman R ... The molecular weight of EMP sodium is 564.3 g/mol, of EMP meglumine is 715.6 g/mol, of EMP is 520.4 g/mol, of estramustine is ... The medication is of about 91% higher molecular weight than estradiol due to the presence of its C3 normustine and C17β ... As a result of these differences in molecular weights, EMP contains about 52%, EMP sodium about 48%, and EMP meglumine about 38 ...
https://en.wikipedia.org/wiki/Estramustine_phosphate
Latha VenkataramanLatha Venkataraman
"Dependence of single-molecule junction conductance on molecular conformation". Nature. 442 (7105): 904-907. doi:10.1038/ ... Her thesis was titled Electronic properties of one-dimensional conductors: A study of molybdenum selenide molecular wires and ... A study of molybdenum selenide molecular wires" - via NASA ADS. "Latha Venkataraman CV" (PDF). www.columbia.edu. 2021. " ... "Single-Molecule Circuits with Well-Defined Molecular Conductance". Nano Letters. 6 (3): 458-462. doi:10.1021/nl052373+. Aradhya ...
https://en.wikipedia.org/wiki/Latha_Venkataraman
Dihedral angleDihedral angle
... s are used to specify the molecular conformation. Stereochemical arrangements corresponding to angles between 0° ... The syn-conformation shown above, with a dihedral angle of 60° is less stable than the anti-conformation with a dihedral angle ... The synperiplanar conformation is also known as the syn- or cis-conformation; antiperiplanar as anti or trans; and synclinal as ... "Side Chain Conformation". Dunbrack, RL Jr.; Karplus, M (20 March 1993). "Backbone-dependent rotamer library for proteins. ...
https://en.wikipedia.org/wiki/Dihedral_angle
AccelerandoAccelerando
"A Direct Search Method for the Molecular Conformation Problem" (PDF). Archived from the original (PDF) on 17 October 2004. ...
https://en.wikipedia.org/wiki/Accelerando
C3a receptorC3a receptor
Reid RC, Yau MK, Singh R, Lim J, Fairlie DP (August 2014). "Stereoelectronic effects dictate molecular conformation and ... Molecular Immunology. 35 (3): 137-48. doi:10.1016/S0161-5890(98)00021-2. PMID 9694514. Lienenklaus S, Ames RS, Tornetta MA, ... "Molecular cloning and characterization of the human anaphylatoxin C3a receptor". The Journal of Biological Chemistry. 271 (34 ...
https://en.wikipedia.org/wiki/C3a_receptor
Imre Gyula CsizmadiaImre Gyula Csizmadia
I.G. Csizmadia (1982). Molecular Structure and Conformation: Recent Advances (Progress in Theoretical Organic Chemistry). ... 6. Ab initio molecular orbital calculations on the thermodynamic and kinetic stability of the oxirene molecule". Journal of the ... In 1985, he founded the Journal of Molecular Structure: THEOCHEM, a computational chemistry journal, and served as its editor ... Imre G. Csizmadia; Botond Penke; Gábor Tóth (2004). The Role of Chemistry in the Evolution of Molecular Medicine. Elsevier ...
https://en.wikipedia.org/wiki/Imre_Gyula_Csizmadia
NeosaxitoxinNeosaxitoxin
Sheets MF, Fozzard HA, Lipkind GM, Hanck DA (January 2010). "Sodium channel molecular conformations and antiarrhythmic drug ... Molecular Toxicology. 1 (2-3): 209-16. PMID 3130568. Schwartz DM, Duncan KG, Fields HL, Jones MR (October 1998). "Tetrodotoxin ...
https://en.wikipedia.org/wiki/Neosaxitoxin
Molecular demonMolecular demon
The molecular demon switches mainly between two conformations. The first, or basic state, upon recognizing and binding the ... A Molecular demon or biological molecular machine is a biological macromolecule that resembles and seems to have the same ... Molecular demons or molecular machines either biological or artificially constructed are continuously pushed around by the ... Proteins therefore must be considered essential molecular agents in the teleonomic performances of all living beings. Molecular ...
https://en.wikipedia.org/wiki/Molecular_demon
Polymer stabilizersPolymer stabilizers
Part VI-Relationship between performance and molecular conformation". Polymer Degradation and Stability. 39 (3): 329-343. doi: ... These alkyl radicals react very rapidly with molecular oxygen (rate constants ≈ 107-109 mol-1 s-1) to give peroxy radicals, ... Modern phenolic antioxidants have complex molecular structures, often including a propionate-group at the para position of the ...
https://en.wikipedia.org/wiki/Polymer_stabilizers
Calponin 1Calponin 1
Jin JP, Walsh MP, Sutherland C, Chen W (September 2000). "A role for serine-175 in modulating the molecular conformation of ... Ser175 phosphorylation alters the molecular conformation of calponin and dissociates calponin from F-actin. The consequence is ... Masuda H, Tanaka K, Takagi M, Ohgami K, Sakamaki T, Shibata N, Takahashi K (August 1996). "Molecular cloning and ... Burgstaller G, Kranewitter WJ, Gimona M (May 2002). "The molecular basis for the autoregulation of calponin by isoform-specific ...
https://en.wikipedia.org/wiki/Calponin_1
I-TASSERI-TASSER
"Atomic-Level Protein Structure Refinement Using Fragment-Guided Molecular Dynamics Conformation Sampling". Structure. 19 (12): ... Atomic-level structure refinement by fragment-guided molecular dynamics simulation (FG-MD) or ModRefiner 6, Structure-based ...
https://en.wikipedia.org/wiki/I-TASSER
CHELPGCHELPG
It should be remembered that atomic charges depend on the molecular conformation. The representative atomic charges for ... While CHELPG is restricted to non-periodic (e.g., molecular) systems, the DDEC methods can be applied to both non-periodic and ... flexible molecules hence should be computed as average values over several molecular conformations. A number of alternative ... The charge calculation methods based on fitting of molecular electrostatic potential (MESP) (including CHELPG) are not well- ...
https://en.wikipedia.org/wiki/CHELPG
Edgar HeilbronnerEdgar Heilbronner
E. Heilbronner (1964). "Hückel molecular orbitals of Möbius-type conformations of annulenes". Tetrahedron Letters. 5 (29): 1923 ... On Molecular Orbital Correlation Diagrams, the Occurrence of Möbius Systems in Cyclization Reactions, and Factors Controlling ...
https://en.wikipedia.org/wiki/Edgar_Heilbronner
Möbius aromaticityMöbius aromaticity
Heilbronner, E. (1964). "Hückel molecular orbitals of Möbius-type conformations of annulenes". Tetrahedron Letters. 5 (29): ... In terms of molecular orbital theory these compounds have in common a monocyclic array of molecular orbitals in which there is ... Möbius molecular systems were considered in 1964 by Edgar Heilbronner by application of the Hückel method, but the first such ... One of them was found to have a C2 molecular symmetry corresponding to a Möbius aromatic and another Hückel isomer was found ...
https://en.wikipedia.org/wiki/Möbius_aromaticity
Judith FrydmanJudith Frydman
"POSTPONED - Knowing right from wrong (protein conformation): the challenging choices of (molecular) chaperones , NIH Office of ... In 2017, she was given the American Society for Biochemistry and Molecular Biology-Merck Award. She is an editor of the Journal ... Her laboratory discovered the molecular chaperone TRiC/CCT and determined its mechanism and function for protein folding. She ...
https://en.wikipedia.org/wiki/Judith_Frydman
1,5-Cyclooctadiene1,5-Cyclooctadiene
The molecular conformation of (E,E)-COD is twisted rather than chair-like. The compound has been investigated as a click ... Boeckh, Dieter; Huisgen, Rolf; Noeth, Heinrich (1987). "Preparation and conformation of (E,E)-1,5-cyclooctadiene". J. Am. Chem ...
https://en.wikipedia.org/wiki/1,5-Cyclooctadiene
HeparinHeparin
"N.M.R. and molecular-modeling studies of the solution conformation of heparin". Shaya D, Tocilj A, Li Y, et al. (June 2006). " ... Mulloy B, Forster MJ, Jones C, Davies DB (August 1993). "N.m.r. and molecular-modelling studies of the solution conformation of ... Native heparin is a polymer with a molecular weight ranging from 3 to 30 kDa, although the average molecular weight of most ... Two models were constructed, one in which all IdoA(2S) were in the 2S0 conformation (A and B below), and one in which they are ...
https://en.wikipedia.org/wiki/Heparin
Robert Charles HiderRobert Charles Hider
Hider RC, Drake AF, Inagaki F, Williams RJP, Endo T and Miyatawa T. The molecular conformation of α-cobratoxin as studied by ... Molecular conformation of α- bungarotoxin as studied by nuclear magnetic resonance and circular dichroism. J. Mol. Biol., 1985 ...
https://en.wikipedia.org/wiki/Robert_Charles_Hider
Poly(A)-binding proteinPoly(A)-binding protein
The polyadenylate RNA adopts an extended conformation running the length of the molecular trough. Adenine recognition is ...
https://en.wikipedia.org/wiki/Poly(A)-binding_protein
DendrotoxinDendrotoxin
However, the molecular architecture and folding conformation of these proteins are all very similar. Dendrotoxins possess a ... and Structure-Activity Studies of Dendrotoxin and Its Homologues Using Molecular Mechanics and Molecular Dynamics Techniques. ... Journal of Molecular Biology 296:1283-1294 Harvey AL, Rowan EG, Vatanpour H, Engstrom A, Westerlund B, Karlsson E (1997). ... A two-stranded antiparallel β-sheet occupies the central part of the molecular structure. These two β-strands are connected by ...
https://en.wikipedia.org/wiki/Dendrotoxin
CyclooctaneCyclooctane
"The molecular structure and conformation of cyclooctane as determined by electron diffraction and molecular mechanics ... Hendrickson, James B. (1967). "Molecular Geometry V. Evaluation of Functions and Conformations of Medium Rings". Journal of the ... This conformation was confirmed by Allinger and co-workers. The crown conformation (below) is slightly less stable. Among the ... Cyclooctane is a cycloalkane with the molecular formula (CH2)8. It is a simple colourless hydrocarbon, but it is often a ...
https://en.wikipedia.org/wiki/Cyclooctane
Knotted polymersKnotted polymers
Circuit topology and knot theory formalise and classify such molecular conformations. A simple modification to atom transfer ... Of note, 85% of elasticity in natural rubber is due to knot-like structures within its molecular chain. An intramolecular ... Erman, James E. Mark ; Burak (2007). Rubberlike elasticity : a molecular primer (2. ed.). Cambridge [u.a.]: Cambridge Univ. ...
https://en.wikipedia.org/wiki/Knotted_polymers
PharmacophorePharmacophore
Molecular superimposition - Superimpose ("fit") all combinations of the low-energy conformations of the molecules. Similar ( ... Kier LB (September 1967). "Molecular orbital calculation of preferred conformations of acetylcholine, muscarine, and muscarone ... A pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a ... Conformational analysis - Generate a set of low energy conformations that is likely to contain the bioactive conformation for ...
https://en.wikipedia.org/wiki/Pharmacophore
PerfluorocyclohexanePerfluorocyclohexane
The molecule predominantly exists in its chair conformation, in which it possesses D3d molecular symmetry. Sander, M.; Blöchl, ...
https://en.wikipedia.org/wiki/Perfluorocyclohexane
Uridine monophosphate synthaseUridine monophosphate synthase
Suchi M, Mizuno H, Kawai Y, Tsuboi T, Sumi S, Okajima K, Hodgson ME, Ogawa H, Wada Y (Mar 1997). "Molecular cloning of the ... Traut TW, Payne RC (Dec 1980). "Dependence of the catalytic activities on the aggregation and conformation states of uridine 5 ... Suchi M, Harada N, Tsuboi T, Asai K, Okajima K, Wada Y, Takagi Y (1990). "Molecular cloning of human UMP synthase". Purine and ... Suttle DP, Bugg BY, Winkler JK, Kanalas JJ (Mar 1988). "Molecular cloning and nucleotide sequence for the complete coding ...
https://en.wikipedia.org/wiki/Uridine_monophosphate_synthase
Gamma-aminobutyric acid receptor subunit gamma-2Gamma-aminobutyric acid receptor subunit gamma-2
Coyle JE, Qamar S, Rajashankar KR, Nikolov DB (January 2002). "Structure of GABARAP in two conformations: implications for GABA ... alpha 1 beta 3 gamma 2 receptors determined by molecular modeling". Biochimica et Biophysica Acta (BBA) - Biomembranes. 1565 (1 ...
https://en.wikipedia.org/wiki/Gamma-aminobutyric_acid_receptor_subunit_gamma-2
AbietaneAbietane
The conformation of the GGPP molecule dictates the stereochemistry of the CPP intermediate after cyclization. The ... Because polar functional groups reduce molecular volatility and make separation by gas chromatography difficult, abietane ... conformation, although some abietanes with alternative stereochemistry may be cyclized from CCP isomers containing alternative ...
https://en.wikipedia.org/wiki/Abietane
Prokaryotic DNA replicationProkaryotic DNA replication
Journal of Molecular Biology. 106 (4): 963-81. doi:10.1016/0022-2836(76)90346-6. PMID 789903. Drake JW (1970) The Molecular ... Filling of the sites changes origin conformation from its native state. It is hypothesized that DNA stretching by DnaA bound to ... Bussiere DE, Bastia D (March 1999). "Termination of DNA replication of bacterial and plasmid chromosomes". Molecular ... Journal of Molecular Biology. 31 (3): 519-540. doi:10.1016/0022-2836(68)90425-7. PMID 4866337. Leonard, Alan C.; Grimwade, ...
https://en.wikipedia.org/wiki/Prokaryotic_DNA_replication
Halobacterium salinarumHalobacterium salinarum
Upon absorption of a photon, retinal changes its conformation, causing a conformational change in the bacterioopsin protein, as ... Graur, Dan; Pupko, Tal (2001-02-15). "The Permian Bacterium that Isn't". Molecular Biology and Evolution. Oxford Journals. 18 ( ... Journal of Molecular Biology. 6: 34-8. doi:10.1016/s0022-2836(63)80079-0. PMID 13964964. Peck, R. F.; Dassarma, S; Krebs, M. P ... Molecular Microbiology. 35 (3): 667-76. doi:10.1046/j.1365-2958.2000.01739.x. PMID 10672188. Brijesh Rajanandam, K S; Siva ...
https://en.wikipedia.org/wiki/Halobacterium_salinarum
Multiple system atrophyMultiple system atrophy
Burn DJ, Jaros E (December 2001). "Multiple system atrophy: cellular and molecular pathology". Molecular Pathology. 54 (6): 419 ... The conformation of the alpha-synuclein is different from that of alpha-synuclein in Lewy bodies. The disease probably starts ... Burn DJ, Jaros E (December 2001). "Multiple system atrophy: cellular and molecular pathology". Molecular Pathology. 54 (6): 419 ... Waxman EA, Giasson BI (July 2009). "Molecular mechanisms of alpha-synuclein neurodegeneration". Biochimica et Biophysica Acta ( ...
https://en.wikipedia.org/wiki/Multiple_system_atrophy
LILRA3LILRA3
Arm JP, Nwankwo C, Austen KF (September 1997). "Molecular identification of a novel family of human Ig superfamily members that ... "HLA class I allelic sequence and conformation regulate leukocyte Ig-like receptor binding". Journal of Immunology. 186 (5): ... Norman PJ, Carey BS, Stephens HA, Vaughan RW (June 2003). "DNA sequence variation and molecular genotyping of natural killer ...
https://en.wikipedia.org/wiki/LILRA3
CateninCatenin
Nature Reviews Molecular Cell Biology. 10 (4): 276-86. doi:10.1038/nrm2654. PMID 19305417. S2CID 7602580. MacDonald BT, Tamai K ... "An ensemble of flexible conformations underlies mechanotransduction by the cadherin-catenin adhesion complex". Proc Natl Acad ...
https://en.wikipedia.org/wiki/Catenin
HSPA1BHSPA1B
June 2021). "DNAJC9 integrates heat shock molecular chaperones into the histone chaperone network". Molecular Cell. 81 (12): ... with other heat shock proteins and chaperone systems to maintain proteostasis by stabilizing the structural conformation of ... Molecular Cell Biology. 20 (11): 665-680. doi:10.1038/s41580-019-0133-3. PMID 31253954. S2CID 195739183. Kishor A, White EJ, ... Mohanan V, Grimes CL (July 2014). "The molecular chaperone HSP70 binds to and stabilizes NOD2, an important protein involved in ...
https://en.wikipedia.org/wiki/HSPA1B
Voltage-gated ion channelVoltage-gated ion channel
Bénitah JP, Chen Z, Balser JR, Tomaselli GF, Marbán E (March 1999). "Molecular dynamics of the sodium channel pore vary with ... The membrane potential alters the conformation of the channel proteins, regulating their opening and closing. Cell membranes ... Lodish H, Berk A, Zipursky SL, Matsudaira P, Baltimore D, Darnell J (2000). "Section 21.3, Molecular Properties of Voltage- ... ISBN 978-0-87893-742-4. Catterall WA (April 2000). "From ionic currents to molecular mechanisms: the structure and function of ...
https://en.wikipedia.org/wiki/Voltage-gated_ion_channel
Promoter (genetics)Promoter (genetics)
A promoter is induced in response to changes in abundance or conformation of regulatory proteins in a cell, which enable ... Molecular Cell Biology. 16 (3): 155-166. doi:10.1038/nrm3951. PMC 4963239. PMID 25693131. Mikhaylichenko O, Bondarenko V, ... Journal of Molecular Biology. 346 (2): 399-409. doi:10.1016/j.jmb.2004.11.075. PMID 15670592. Martins L, Mäkelä J, Häkkinen A, ...
https://en.wikipedia.org/wiki/Promoter_(genetics)
Mitochondrial DNAMitochondrial DNA
Xu, X.; Arnason, U. (1 May 1996). "A complete sequence of the mitochondrial genome of the western lowland gorilla". Molecular ... Deletion breakpoints frequently occur within or near regions showing non-canonical (non-B) conformations, namely hairpins, ... Liu Z, Zhou T, Ziegler AC, Dimitrion P, Zuo L (2017). "Oxidative Stress in Neurodegenerative Diseases: From Molecular ... Delsuc F, Stanhope MJ, Douzery EJ (August 2003). "Molecular systematics of armadillos (Xenarthra, Dasypodidae): contribution of ...
https://en.wikipedia.org/wiki/Mitochondrial_DNA
OligosaccharyltransferaseOligosaccharyltransferase
Move these two large substrates into their proper locations and conformations. Activate the Asn amide nitrogen atom for the ... Karaoglu D, Kelleher DJ, Gilmore R (October 2001). "Allosteric regulation provides a molecular mechanism for preferential ... Marquardt T, Denecke J (June 2003). "Congenital disorders of glycosylation: review of their molecular bases, clinical ...
https://en.wikipedia.org/wiki/Oligosaccharyltransferase
Padmanabhan BalaramPadmanabhan Balaram
He has been a major contributor to the evaluation of factors influencing the folding and conformations of designed peptides, ... where he has been ever since as a faculty member in the Molecular Biophysics Unit. He presently holds a Chaired Professorship ... Balaram's main area of research has been the investigation of the structure, conformation, and biological activity of designed ... he has also pioneered the use of alpha-amino isobutyric acid to induce and retain helicity and constrain peptide conformations ...
https://en.wikipedia.org/wiki/Padmanabhan_Balaram
Peptide bondPeptide bond
Methods in Molecular Biology. Vol. 1401. pp. 3-29. doi:10.1007/978-1-4939-3375-4_1. ISBN 978-1-4939-3373-0. PMC 4760355. PMID ... antiperiplanar conformation). Amide groups can isomerize about the C'-N bond between the cis and trans forms, albeit slowly ( τ ... Journal of Molecular Biology. 377 (4): 1117-1129. doi:10.1016/j.jmb.2008.01.051. PMID 18308334.{{cite journal}}: CS1 maint: ... synperiplanar conformation), and ω = 180 ∘ {\displaystyle \omega =180^{\circ }} for the trans isomer ( ...
https://en.wikipedia.org/wiki/Peptide_bond
Ramakrishnan NagarajRamakrishnan Nagaraj
Nagaraj joined the Centre for Cellular and Molecular Biology (CCMB) in 1980 as a scientist where he heads a team of scientists ... Mandal, M.; Jagannadham, M.V.; Nagaraj, R. (March 2002). "Antibacterial activities and conformations of bovine β-defensin BNBD- ... Ramakrishnan Nagaraj (born 1953) is an Indian biochemist, molecular biologist and the leader of a team of scientists working in ... Arthropod defensin Padmanabhan Balaram India portal Biology portal "Our People". Centre for Cellular and Molecular Biology. ...
https://en.wikipedia.org/wiki/Ramakrishnan_Nagaraj
Glass electrodeGlass electrode
and chalcogenide matrix based on a molecular network of AsS, AsSe, AsTe. Because of the ion-exchange nature of the glass ... The silica glass structure (that is, the conformation of its atomic structure) is shaped so that it allows Na+ ions some ... There are two main glass-forming systems: silicate matrix based on a molecular network of silicon dioxide (SiO2) with additions ...
https://en.wikipedia.org/wiki/Glass_electrode
Histamine H3 receptorHistamine H3 receptor
Nakamura T, Itadani H, Hidaka Y, Ohta M, Tanaka K (Dec 2000). "Molecular cloning and characterization of a new human histamine ... evidence for heterogeneous active state receptor conformations". J. Pharmacol. Exp. Ther. 314 (1): 271-81. doi:10.1124/jpet. ... Wellendorph P, Goodman MW, Burstein ES, Nash NR, Brann MR, Weiner DM (Jun 2002). "Molecular cloning and pharmacology of ... Molecular Interventions. 6 (2): 77-88, 59. doi:10.1124/mi.6.2.5. PMID 16565470. Lovenberg TW, Roland BL, Wilson SJ, Jiang X, ...
https://en.wikipedia.org/wiki/Histamine_H3_receptor
Oxymercuration reactionOxymercuration reaction
The electrons in the highest occupied molecular orbital of the double bond are donated to mercury's empty 6s orbital and the ... A bulky group like t-butyl locks the ring in a chair conformation and prevents ring flips. With 4-t-butylcyclohexene, ... electrons in mercury's dxz (or dyz) orbital are donated in the lowest unoccupied molecular orbital of the double bond. In the ...
https://en.wikipedia.org/wiki/Oxymercuration_reaction
LDL receptorLDL receptor
After dissociation, the receptor folds back on itself to obtain a closed conformation and recycles to the cell surface. The ... Hobbs HH, Brown MS, Goldstein JL (1993). "Molecular genetics of the LDL receptor gene in familial hypercholesterolemia". Human ... Gent J, Braakman I (October 2004). "Low-density lipoprotein receptor structure and folding". Cellular and Molecular Life ... Gent J, Braakman I (October 2004). "Low-density lipoprotein receptor structure and folding". Cellular and Molecular Life ...
https://en.wikipedia.org/wiki/LDL_receptor
Sucrose-phosphate synthaseSucrose-phosphate synthase
In the open conformation of H. orenii SPS, fructose 6-phosphate forms hydrogen bonds with Gly-33 and Gln-35 residues in the A ... Annual Review of Plant Physiology and Plant Molecular Biology. 47: 431-444. CiteSeerX 10.1.1.473.6911. doi:10.1146/annurev. ... In this closed conformation, the Gly-34 residue of the A domain interacts with UDP-glucose and forces the substrate to adapt a ...
https://en.wikipedia.org/wiki/Sucrose-phosphate_synthase
Structural genomicsStructural genomics
This method may help identify distantly related proteins and can be used to infer molecular functions. There are currently a ... which divides the protein into short segments and arranges short polypeptide chain into a low-energy local conformation. ...
https://en.wikipedia.org/wiki/Structural_genomics
Histone H2BHistone H2B
These are highly involved in condensing chromatin from the beads-on-a-string conformation to a 30-nm fiber. Similar to other ... Lodish HF, Berk A, Kaiser C, Krieger M, Bretscher A, Ploegh HL, Amon A, Scott MP (2013). Molecular Cell Biology (Seventh ed.). ... Golebiowski F, Kasprzak KS (November 2005). "Inhibition of core histones acetylation by carcinogenic nickel(II)". Molecular and ...
https://en.wikipedia.org/wiki/Histone_H2B
Polyproline helixPolyproline helix
This PPII conformation is also common in proteins and polypeptides with other amino acids apart from proline. Similarly, a more ... Traditionally, PPII has been considered to be relatively rigid and used as a "molecular ruler" in structural biology, e.g., to ... It is also rarer than the PPII conformation because the cis isomer is higher in energy than the trans. Its typical dihedral ... Journal of Molecular Biology. 229 (2): 472-493. doi:10.1006/jmbi.1993.1047. ISSN 0022-2836. PMID 8429558. Davies, Peter L.; ...
https://en.wikipedia.org/wiki/Polyproline_helix
ArrestinArrestin
February 2017). "Distinct conformations of GPCR-β-arrestin complexes mediate desensitization, signaling, and endocytosis". ... Arrestins are elongated molecules, in which several intra-molecular interactions hold the relative orientation of the two ... Arrestins also bind microtubules (part of the cellular "skeleton"), where they assume yet another conformation, different from ... Unstimulated cell arrestins are localized in the cytoplasm in a basal "inactive" conformation. Active phosphorylated GPCRs ...
https://en.wikipedia.org/wiki/Arrestin
AerolysinAerolysin
In molecular biology, aerolysin is a cytolytic pore-forming toxin exported by Aeromonas hydrophila, a Gram-negative bacterium ... oligomer derived from electron microscopy have helped to construct a model of the protein in its heptameric conformation, and ... "Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism. The gene for aerolysin have been ...
https://en.wikipedia.org/wiki/Aerolysin
NE-tagNE-tag
This synthetic NE peptide adopts random coil conformation and showing strong immunogenicity (computational prediction). This is ... Human Molecular Genetics. 22 (7): 1395-1403. doi:10.1093/hmg/dds556. PMID 23300193. Xu, EG.; Ho, Philip WL.; Tse, Zero HM.; Ho ...
https://en.wikipedia.org/wiki/NE-tag
Collagen, type IV, alpha 2Collagen, type IV, alpha 2
Like the other members of the type IV collagen gene family, this gene is organized in a head-to-head conformation with another ... Ständer M, Naumann U, Wick W, Weller M (1999). "Transforming growth factor-beta and p-21: multiple molecular targets of decorin ...
https://en.wikipedia.org/wiki/Collagen,_type_IV,_alpha_2
Expected progeny differenceExpected progeny difference
Drennan M. J., McGee M. (2008). "Effect of beef sire expected progeny difference for carcass conformation on live animal ... Molecular biology). ...
https://en.wikipedia.org/wiki/Expected_progeny_difference
O-XyleneO-Xylene
... methyl conformation, and dipole moment of ortho-xylene". Journal of Molecular Spectroscopy. 47 (2): 314. Bibcode:1973JMoSp..47 ...
https://en.wikipedia.org/wiki/O-Xylene
Controlling the SARS-CoV-2 spike glycoprotein conformation | Nature Structural & Molecular BiologyControlling the SARS-CoV-2 spike glycoprotein conformation | Nature Structural & Molecular Biology
... state conformations more readily than the wild-type S-protein. These results demonstrate that the conformation of the S-protein ... Mutations engineered into the spike ectodomain either lock the RBD in the down state or make it adopt the up conformation more ... 1: Vector-based analysis of the CoV S-protein demonstrates remarkable variability in the S-protein conformation within up and ... state conformations more readily than the wild-type S-protein. These results demonstrate that the conformation of the S-protein ...
https://www.nature.com/articles/s41594-020-0479-4?error=cookies_not_supported&code=83ea6a1b-6aba-4c30-9669-5b2b21f0dd4f
Study of Molecular Conformation and Activity-Related Properties of Lipase Immobilized onto Core-Shell Structured Polyacrylic...Study of Molecular Conformation and Activity-Related Properties of Lipase Immobilized onto Core-Shell Structured Polyacrylic...
Study of Molecular Conformation and Activity-Related Properties of Lipase Immobilized onto Core-Shell Structured Polyacrylic ... Study of Molecular Conformation and Activity-Related Properties of Lipase Immobilized onto Core-Shell Structured Polyacrylic ... Home / KnowledgeBase Articles / Study of Molecular Conformation and Activity-Related Properties of Lipase Immobilized onto Core ... Low- or high-molecular-weight (1800 and 100 000, respectively) PAA molecules were covalently attached onto the surface of amine ...
https://jascoinc.com/knowledgebase/study-of-molecular-conformation-and-activity-related-properties-of-lipase-immobilized-onto-core-shell-structured-polyacrylic-acid-coated-magnetic-silica-nanocomposite-particles/
Parallel graph algorithms for molecular conformation and tree codes by Paulius Micikevicius"Parallel graph algorithms for molecular conformation and tree codes" by Paulius Micikevicius
Micikevicius, Paulius, "Parallel graph algorithms for molecular conformation and tree codes" (2002). Retrospective Theses and ...
https://stars.library.ucf.edu/rtd/1613/
Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates (Journal Article) ...Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates (Journal Article) ...
Molecular dynamics simulations and cluster analysis have been used to select the molecular conformations, reducing the ... Molecular dynamics simulations and cluster analysis have been used to select the molecular conformations, reducing the ... Title: Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates ... 2DES maps reveal the spectral fingerprints associated with specific molecular conformations, and are thus a promising option to ...
https://par.nsf.gov/biblio/10057302
Molecular Conformation - McMaster Experts
Molecular physiology of adrenoreceptors]. Academic Article * [Predisposition of the optimal conformations of adrenergic ... Conformation of a tethered polymer in a leaky nanocavity Academic Article * Conformation transitions of a polyelectrolyte chain ... Molecular diagnostics in follicular non-Hodgkins lymphoma: a review. Academic Article * Molecular interactions in the model ... Productive conformations of ligands and topography of the alpha1-adrenoreceptor active site based on theoretical conformation ...
https://experts.mcmaster.ca/display/vocab-mesh-molecular-conformation
A small angle neutron scattering study of the effect of molecular weight on the conformation of side chain liquid crystal...A small angle neutron scattering study of the effect of molecular weight on the conformation of side chain liquid crystal...
Godinho, M. H. F. (1999). A small angle neutron scattering study of the effect of molecular weight on the conformation of side ... Godinho, MHF 1999, A small angle neutron scattering study of the effect of molecular weight on the conformation of side chain ... T1 - A small angle neutron scattering study of the effect of molecular weight on the conformation of side chain liquid crystal ... A small angle neutron scattering study of the effect of molecular weight on the conformation of side chain liquid crystal ...
https://novaresearch.unl.pt/en/publications/a-small-angle-neutron-scattering-study-of-the-effect-of-molecular
Fluorescence study of the molecular conformation of human haemopexin - Fingerprint - Albert Einstein College of MedicineFluorescence study of the molecular conformation of human haemopexin - Fingerprint - Albert Einstein College of Medicine
Dive into the research topics of Fluorescence study of the molecular conformation of human haemopexin. Together they form a ...
https://einstein.pure.elsevier.com/en/publications/fluorescence-study-of-the-molecular-conformation-of-human-haemope-2/fingerprints/
An abasic site in DNA. Solution conformation determined by proton NMR and molecular mechanics calculationsAn abasic site in DNA. Solution conformation determined by proton NMR and molecular mechanics calculations
Solution conformation determined by proton NMR and molecular mechanics calculations. Ph. Cuniasse, L.C. Sowers, R. Eritja, B. ... Solution conformation determined by proton NMR and molecular mechanics calculations. , Nucleic Acids Research, January 1987, ...
https://www.growkudos.com/publications/10.1093%252Fnar%252F15.19.8003/reader
GeoDiff: A Geometric Diffusion Model for Molecular Conformation Generation | appliedAI - TransferLabGeoDiff: A Geometric Diffusion Model for Molecular Conformation Generation | appliedAI - TransferLab
GeoDiff: A Geometric Diffusion Model for Molecular Conformation Generation, Minkai Xu, Lantao Yu, Yang Song, Chence Shi, ... Given the 2d graph of a molecule, the goal is to predict all of its stable conformations, i.e. all the stable 3d positions of ... Given the full molecule conformation C, the authors progressively add noise until the 3d structure is lost and only the 2d ... The problem of predicting molecular 3d structure is of fundamental importance in computational chemistry and drug discovery. ...
https://transferlab.appliedai.de/pills/2022/geodiff/
Predicting new protein conformations from molecular dynamics simulation conformational landscapes and machine learning. |...Predicting new protein conformations from molecular dynamics simulation conformational landscapes and machine learning. |...
Predicting new protein conformations from molecular dynamics simulation conformational lan Predicting new protein conformations ... Molecular dynamics (MD) simulations are a popular method of studying protein structure and function, but are unable to reliably ... conformations that are not present in the training data. This method offers a new approach to the prediction of new low energy/ ... from molecular dynamics simulation conformational landscapes and machine learning. Jin, Yiming; Johannissen, Linus O; Hay, Sam ...
https://pesquisa.bvsalud.org/portal/resource/pt/mdl-33629765
β,γ-CHF- and β,γ-CHCl-dGTP diastereomers: synthesis, discrete 31P NMR signatures, and absolute configurations of new...β,γ-CHF- and β,γ-CHCl-dGTP diastereomers: synthesis, discrete 31P NMR signatures, and absolute configurations of new...
Molecular Conformation * Molecular Probes / chemical synthesis* * Molecular Probes / chemistry* * Molecular Probes / metabolism ...
https://pubmed.ncbi.nlm.nih.gov/22397499/
Molecular structure vibrational spectral investigation and the conformation analysis of methyl 4 4 formylphenyl benzoate |...Molecular structure vibrational spectral investigation and the conformation analysis of methyl 4 4 formylphenyl benzoate |...
Heterogeneous pattern of DNA methylation in developmentally important genes correlates with its chromatin conformation | BMC...Heterogeneous pattern of DNA methylation in developmentally important genes correlates with its chromatin conformation | BMC...
... thereby resulting in the modulation of chromatin conformation. These findings illustrate that various patterns of DNA ... BMC Molecular Biology volume 18, Article number: 1 (2017) Cite this article ... Curradi M, Izzo A, Badaracco G, Landsberger N. Molecular mechanisms of gene silencing mediated by DNA methylation. Mol Cell ... Heterogeneous pattern of DNA methylation in developmentally important genes correlates with its chromatin conformation. *Puja ...
https://bmcmolbiol.biomedcentral.com/articles/10.1186/s12867-016-0078-4
Molecular phylogeny of the tropical wandering spiders (Ctenidae) and the evolution of the eye conformation in the RTA clade |...Molecular phylogeny of the tropical wandering spiders (Ctenidae) and the evolution of the eye conformation in the RTA clade |...
Molecular phylogeny of the tropical wandering spiders (Ctenidae) and the evolution of the eye conformation in the RTA clade ...
https://expert.gwu.edu/display/doc-63876e1b2b0840453cee738423a874e9
Dissipative particle dynamics simulations in colloid and Interface science: a review. | Semantic ScholarDissipative particle dynamics simulations in colloid and Interface science: a review. | Semantic Scholar
Mesoscale Modeling of Agglomeration of Molecular Bottlebrushes: Focus on Conformations and Clustering Criteria. *Sidong Tu, C. ... A novel method of investigating the link between molecular features of polymer molecules and the rheological properties of ... Using dissipative particle dynamics, we characterize dynamics of aggregation of molecular bottlebrushes in solvents of various ...
https://www.semanticscholar.org/paper/Dissipative-particle-dynamics-simulations-in-and-a-Santo-Neimark/0730f11418883d847fa94b904fd987374d4d91a3
Jason M. Key, Ph.D. | Harvard Catalyst Profiles | Harvard CatalystJason M. Key, Ph.D. | Harvard Catalyst Profiles | Harvard Catalyst
Molecular Conformation. 1. 2009. 591. 0.020. Why? Thermodynamics. 1. 2009. 618. 0.020. Why? ...
https://connects.catalyst.harvard.edu/Profiles/display/person/112055/network/researchareas/details
Nuclear Magnetic Resonance Platform Applications - Faculty of Science - AboutNuclear Magnetic Resonance Platform Applications - Faculty of Science - About
Identification of molecular conformations. *Studies of physical and chemical properties at the molecular level such as ... Determination of molecular structure of organic molecules using 1H and 13C atom focused methods to identify the carbon-hydrogen ...
https://www.uea.ac.uk/about/faculties-and-schools/faculty-of-science/facilities/nuclear-magnetic-resonance-platform/nuclear-magnetic-resonance-platform-applications
Author: Pang, Z. / Subject: indoles and metabolites / Text Availability: Citation in PubAg - PubAg Search ResultsAuthor: 'Pang, Z.' / Subject: indoles and metabolites / Text Availability: Citation in PubAg - PubAg Search Results
Table of Contents page: Journal of Biological ChemistryTable of Contents page: Journal of Biological Chemistry
Systematic Comparison of Molecular Conformations of H+,K+-ATPase Reveals an Important Contribution of the A-M2 Linker for the ... Calcium, Acylation, and Molecular Confinement Favor Folding of Bordetella pertussis Adenylate Cyclase CyaA Toxin into a ...
https://www.jbc.org/issue/S0021-9258
Frontiers | Dynamics Rationalize Proteolytic Susceptibility of the Major Birch Pollen Allergen Bet v 1Frontiers | Dynamics Rationalize Proteolytic Susceptibility of the Major Birch Pollen Allergen Bet v 1
Here, we perform classic and enhanced molecular dynamics (MD) simulations to quantify fold dynamics on extended timescales of ... Here, we perform classic and enhanced molecular dynamics (MD) simulations to quantify fold dynamics on extended timescales of ... dissecting the relationship between molecular conformation and allergenic potency. Biochim. Biophys. Acta 1864, 1548-1557. doi ... classic molecular dynamics; MDMD, metadynamics molecular dynamics; PDB, protein data bank; MSM, Markov state model; PCA, ...
https://www.frontiersin.org/articles/10.3389/fmolb.2020.00018/full
Inter Research » MEPS » v300 » p91-103Inter Research » MEPS » v300 » p91-103
Molecular variation was assessed with the single-strand conformation polymorphism (SSCP) method. In total, 32 different ... Analysis of molecular variance (AMOVA) indicated a strong genetic differentiation among populations. The Lake Grevelingen ... KEY WORDS: Pellioditis marina · Single-strand conformation polymorphism · Cryptic species · Population genetic structure ...
https://www.int-res.com/abstracts/meps/v300/p91-103/
Gelation of |i|Antheraea pernyi|/i| Silk Fibroin Accelerated by ShearingGelation of |i|Antheraea pernyi|/i| Silk Fibroin Accelerated by Shearing
The Molecular Conformation of SF. CD is generally used to test different protein conformations in dilute aqueous solutions. ... The percentages of molecular conformations in SF solutions after shearing for 90 min at various rates were calculated based on ... There was no significant difference in the molecular conformation of the SF gels, all of which were mainly composed of β-sheets ... After incubating for 24 h, the molecular conformations of both the ASF and the BSF solutions changed significantly. The α-helix ...
https://file.scirp.org/Html/5-7701049_33033.htm
Browsing public research data by Author Haddow, Sarah L.Browsing public research data by Author "Haddow, Sarah L."
Structural characterisation of molecular conformation and the incorporation of adatoms in an on-surface Ullmann-type reaction ...
https://unow.nottingham.ac.uk/handle/10.17639/2/browse?authority=465b5ab7-eda4-40ba-816f-51cb99ebf640&type=author
Transition path times of coupled folding and binding reveal the formation of an encounter complex - Research CollectionTransition path times of coupled folding and binding reveal the formation of an encounter complex - Research Collection
Biophysics; Intrinsically disordered proteins; Kinetics; Molecular biophysics; Molecular conformation. Organisationseinheit. ... the very short parts of the molecular trajectories from the encounter of the two molecules to the formation of a stable complex ...
https://www.research-collection.ethz.ch/handle/20.500.11850/318763?locale-attribute=de
Volume 39 Issue 4 | Journal of Medical EntomologyVolume 39 Issue 4 | Journal of Medical Entomology
Rapid Identification of Mitochondrial Cytochrome B Haplotypes by Single Strand Conformation Polymorphism in Lutzomyia ... and aid in the discovery of resistance mechanisms through synergist studies and verification of molecular techniques. ... KEYWORDS: Lutzomyia longipalpis, cytochrome b, single strand conformation polymorphism, population genetics, sand fly, ... Single strand conformation polymorphism (SSCP) was used to recognize the presence of L. longipalpis haplotypes; these were ...
https://bioone.org/journals/journal-of-medical-entomology/volume-39/issue-4
Heat shock proteins and hormesis in the diagnosis and treatment of neurodegenerative diseases | SpringerLinkHeat shock proteins and hormesis in the diagnosis and treatment of neurodegenerative diseases | SpringerLink
... a large number of proteins need the help of molecular chaperones to maintain their activation-competent conformation. ... Hormetic prevention of molecular damage during cellular aging of human skin fibroblasts and keratinocytes. Ann N Y Acad Sci. ... The molecular mechanisms regulating the NO-induced activation of heat-shock signal seems to involve cellular oxidant/ ... How hsp70 molecular machines interact with their substrates to mediate diverse physiological functions. J Mol Biol. 2015;427(7 ...
https://link.springer.com/article/10.1186/s12979-015-0046-8
Words of the day -- idiopathic | The Spokesman-ReviewWords of the day -- idiopathic | The Spokesman-Review
... the molecular structure and conformation of an antibody that confers its antigenic specificity. A more common idio- word is ...
https://www.spokesman.com/blogs/commcomm/2013/feb/25/words-day-idiopathic/
OpenAGRICOLAOpenAGRICOLA
MeSH BrowserMeSH Browser
CARB CONFORMATION. Entry Term(s). Carbohydrate Linkage NLM Classification #. QU 75. Previous Indexing. Molecular Conformation ( ... Molecular Structure [G02.111.570] * Molecular Conformation [G02.111.570.820] * Bay-Region, Polycyclic Aromatic Hydrocarbon [ ... Carbohydrate Conformation Preferred Term Term UI T006421. Date01/01/1999. LexicalTag NON. ThesaurusID NLM (1980). ... Carbohydrate Conformation Preferred Concept UI. M0003353. Scope Note. The characteristic 3-dimensional shape of a carbohydrate. ...
https://meshb.nlm.nih.gov/record/ui?ui=D002236
SimulationsProtein ConformationContaining an intra-molecularIntra-molecularOpen conformationProteinsInteractionsStructuralSpectralConformationalPhosphorylationBiologyPrionsStructuresActaSimulationOxidationDiscreteStructure20172018AdoptsMoleculesCompoundsChemistryDifferent conformationsBackboneInteractionMechanicsInfrared radiationAssembliesModelsGeneFoldSpectroscopyPolymersFunctionalCellularGenesJournalCloningModelingPrion strainAnalysesAnalysisInvestigationReplica-exchange
Simulations10
  • Molecular dynamics simulations and cluster analysis have been used to select the molecular conformations, reducing the complexity of the flexible ApA conformational space. (nsf.gov)
  • Molecular dynamics (MD) simulations are a popular method of studying protein structure and function, but are unable to reliably sample all relevant conformational space in reasonable computational timescales. (bvsalud.org)
  • An autoencoder is used to map snapshots from MD simulations onto a user-defined conformational landscape defined by principal components analysis or specific structural features, and we show that we can predict, with useful accuracy, conformations that are not present in the training data. (bvsalud.org)
  • Here, we perform classic and enhanced molecular dynamics (MD) simulations to quantify fold dynamics on extended timescales of Bet v 1a and two variants with higher and lower cleavage rates. (frontiersin.org)
  • Molecular dynamic simulations of the vesicles were used to establish the relationship between membrane morphology and averaged cryo-EM images. (osti.gov)
  • Sanbonmatsu, K.Y. (2014) Dynamics of Riboswitches: Molecular Simulations. (lanl.gov)
  • For simulations: replica-exchange discrete molecular dynamics (rxDMD) provided an independent view of the energy landscape. (elifesciences.org)
  • We present a combined computational-experimental study on the incorporation of water in lactose molecular crystals, and show how simulations can be used to associate spectral features in the THz region to crystal conformations and phases. (dannyvanpoucke.be)
  • Using periodic DFT simulations of lactose molecular crystals, the role of water in the observed lactose THz spectrum is clarified, presenting both direct and indirect contributions. (dannyvanpoucke.be)
  • Molecular dynamics simulations of stretch-induced crystallization in layered polyethylene ( Nikolaos Romanos, Grigorios Megariotis, Doros N. Theodorou ), In Polym. (grnet.gr)
Protein Conformation2
  • Fig. 1: Vector-based analysis of the CoV S-protein demonstrates remarkable variability in the S-protein conformation within 'up' and 'down' states between CoV strains. (nature.com)
  • Finally, the interactions of cytochrome C and carbon monoxides were simulated using molecular dynamics (MD), and the effect of protein conformation changes on the electrochemical signal was thoroughly examined. (marquette.edu)
Containing an intra-molecular1
  • On the other hand, in (II), the penta-fluoro-phen-oxy moiety inter-acts closely with the Cl atom to form a folded conformation containing an intra-molecular halogen-π inter-action. (elsevier.com)
Intra-molecular1
  • Our research group developed an intra-molecular FRET sensor to detect the interaction between Gα subunits and GPCRs in live cells following agonist stimulation. (umn.edu)
Open conformation1
  • In (I), the phen-oxy and phthalonitrile (benzene-1,2- dicarbonitrile) moieties are well separated in an open conformation and inter-molecular C - H⋯π inter-actions are observed in the crystal packing. (elsevier.com)
Proteins4
  • These results demonstrate that the conformation of the S-protein can be controlled via rational design and can provide a framework for the development of engineered CoV S-proteins for vaccine applications. (nature.com)
  • Research has mostly been limited to applying environmental triggers such as acidification, organic solvents and shear force during the assembly process with the aim of influencing the microstructures that form during the fabrication of fibers and films," says Sun. However, she adds that this still allows very little control over how the proteins fold and the molecular assembly that both critically determine the end material's properties. (phys.org)
  • We now show that lysine-specific molecular tweezers bind to a 14-3-3 adapter protein and modulate its interaction with partner proteins. (tue.nl)
  • Amyloid-forming proteins can aggregate under different structural conformations known as strains, which can exhibit a prion-like behavior and distinct pathophenotypes. (archives-ouvertes.fr)
Interactions8
  • Most mechanistic information of how the interactions between binding partners form or break is, however, hidden in the transition paths, the very short parts of the molecular trajectories from the encounter of the two molecules to the formation of a stable complex. (ethz.ch)
  • Computationally, we are using molecular simulation to to understand the interplay between ligand binding, folding and magnesium interactions on riboswitch conformation. (lanl.gov)
  • Yet, important fresh perspectives on surface interactions and molecular conformations are gained from adsorption heights that remain largely inaccessible to SPM, but can be precisely measured with both elemental and chemical sensitivity by Normal-Incidence X-ray Standing Wave (NIXSW) analysis. (lancs.ac.uk)
  • The interpretation of experimental results is informed by Density Functional Theory (DFT) calculations, providing a consistent picture of adsorption heights and molecular deformations in the networks that result from the interplay between steric hindrance and surface interactions. (lancs.ac.uk)
  • We will further explore the next frontier, namely diagnostic analyzers exploiting single-molecule sensitivity to provide detailed information on conformation and interactions at the molecular scale. (tue.nl)
  • Hori, A , Inoue, Y & Yuge, H 2011, ' The effect of Cl⋯π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2- (pentafluorophenoxy)ethoxy]phthalonitrile ', Acta Crystallographica Section C: Crystal Structure Communications , vol. 67, no. 5, pp. o154-o156. (elsevier.com)
  • In keeping with the rapidly developing fields of mechanobiology and regenerative medicine, Biorheology aims to include studies of the rheological aspects of these fields by focusing on the dynamics of mechanical stress formation and the response of biological materials at the molecular and cellular level resulting from fluid-solid interactions. (semcs.net)
  • Precise molecular determinants defining strain specificity and cross-strain interactions (cross-seeding) are currently unknown. (archives-ouvertes.fr)
Structural4
  • These conformations can vary significantly in terms of their structural characteristics, resulting in a broad distribution of localized dynamics. (ubc.ca)
  • Stereo Isomerism : Two or more than two compounds having same molecular formula, same structural formula but different arrangements of atoms or groups in space. (ybstudy.com)
  • Optical isomers : Two or more than two compound have same molecular formula, same structural formula but different behaviour towards PPL (plane polarised light). (ybstudy.com)
  • The predicted conformation of ranatuerin-1 (SMLSVLKNLG 10 KVGLGFVACK 20 INK QC), an antimicrobial peptide first isolated from the skin of the bullfrog Rana catesbeiana, comprises three structural domains: α-helix (residues 1-8), β-sheet (residues 11-16) and β-turn (residues 20-25). (elsevier.com)
Spectral3
  • 2DES maps reveal the spectral fingerprints associated with specific molecular conformations, and are thus a promising option to enable their quantitative spectroscopic detection beyond standard 1D pump-probe techniques. (nsf.gov)
  • The collective vibrations in such molecular crystals can be probed using terahertz spectroscopy, providing unique characteristic spectral fingerprints. (dannyvanpoucke.be)
  • However, the association of the spectral features to the crystal conformation, crystal phase and its environment is a difficult task. (dannyvanpoucke.be)
Conformational2
  • Predicting new protein conformations from molecular dynamics simulation conformational landscapes and machine learning. (bvsalud.org)
  • Conformational Isomerism : The different arrangement of atoms in space that result from the free rotation around single bond, are called conformations. (ybstudy.com)
Phosphorylation1
  • Deletion of the leucine zipper motif or PKC phosphorylation affected AFAP-110's conformation, which correlated with changes in multimerization and increased the capability of rAFAP-110 to cross-link actin filaments. (cdc.gov)
Biology1
  • Molecular Biology and Evolution. (upmc.fr)
Prions1
  • Tau Prions: Conformation-based Classification of Tauopathies" "Neurodegenerative. (houstonmethodist.org)
Structures5
  • The figure depicts three different molecular structures of estrogen found in mammals' that differ by the arrangement of bonds and side groups. (asu.edu)
  • The molecular structures of the three estrogen molecules differ by the arrangement of chemical bonds and side groups attached to the core steroid structure, cholesterol, which contains three cyclohexane rings and one cyclopentane ring. (asu.edu)
  • GAGSGAGAGSGA forms nanowhisker-like structures of highly ordered β sheet molecular conformations. (phys.org)
  • Here we show tertiary structures of SPH1118 with six different conformations as determined by X-ray crystallography. (nih.gov)
  • This biorheological approach applies in particular to molecular studies where changes of physical properties and conformation are investigated without reference to how the process actually takes place, how the forces generated are matched to the properties of the structures and environment concerned, proper time scales, or what structures or strength of structures are required. (semcs.net)
Acta1
  • Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 76 (1). (lincoln.ac.uk)
Simulation2
  • 2018. Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study . (ibpc.fr)
  • 2019. Nonequilibrium atomistic molecular dynamics simulation of tubular nanomotor propelled by bubble propulsion . (ibpc.fr)
Oxidation1
  • Metal-free activation of molecular oxygen by covalent triazine frameworks for selective aerobic oxidation. (mpg.de)
Discrete1
  • Self-assembly is a powerful method to obtain large discrete functional molecular architectures. (nature.com)
Structure10
  • The problem of predicting molecular 3d structure is of fundamental importance in computational chemistry and drug discovery. (appliedai.de)
  • Given the full molecule conformation C, the authors progressively add noise until the 3d structure is lost and only the 2d structure remains. (appliedai.de)
  • Molecular structure vibrational spectra. (gazi.edu.tr)
  • and 'idiotype,' meaning 'the molecular structure and conformation of an antibody that confers its antigenic specificity. (spokesman.com)
  • During material assembly, the localized interaction with different peptides yields a silk film that exhibits topographical control over molecular structure and mechanical properties imparted by the templated crystallization process. (phys.org)
  • Four main topics have been covered: (i) the impact of molecular orientation on the energy levels, (ii) energy level tuning with strong electron acceptors, (iii) the role of thermodynamic equilibrium at organic/organic homo-interfaces and (iv) the correlation of interfacial electronic structure and bonding distance. (hu-berlin.de)
  • The process can also be templated by a guest molecule that itself has an asymmetrical structure, which paves the way to molecular imprinting techniques at the level of single polymer chains. (nature.com)
  • The nanoscale structure of molecular assemblies plays a major role in many (µ)-biological mechanisms. (dannyvanpoucke.be)
  • The results suggest that the molecular chains in the materials tested are primarily randomly coiled and lacking in regular structure, and are able to easily change between many transient conformations. (ubc.ca)
  • conformation nres: 628 fold_tree nres: 639 When I comment out the native complex structure, there is no more error. (rosettacommons.org)
20171
  • 2017). Characterizing the molecular composition of organics in SOA and precursor gases is crucial for understanding the chemical fate, removal, and ultimately the impact on human and environmental health. (copernicus.org)
20182
  • The Journal of molecular diagnostics : JMD 2018 01 20 (1): 87-94. (cdc.gov)
  • 2018. Molecular mechanism of the cell membrane pore formation induced by bubble stable cavitation . (ibpc.fr)
Adopts2
  • Based on this analysis, we developed two soluble ectodomain constructs for the SARS-CoV-2 S-protein, in which the highly immunogenic and mobile receptor binding domain (RBD) is either locked in the all-RBDs 'down' position or adopts 'up' state conformations more readily than the wild-type S-protein. (nature.com)
  • The cyclotrithiazene ring adopts a chair conformation with equal bond distances and the norbornadiene is fused in an exo, exo fashion to the heterocycle. (typeset.io)
Molecules2
  • Low- or high-molecular-weight (1800 and 100 000, respectively) PAA molecules were covalently attached onto the surface of amine-functionalized magnetic silica nanoacomposite particles. (jascoinc.com)
  • 1997. " Search For Native Conformations Of Organic Molecules By Genetic Algorithms " . (uni-heidelberg.de)
Compounds3
  • Two or more than two compounds having the same molecular formula but different physical/chemical or both properties are called isomers and the phenomenon is called isomerism. (ybstudy.com)
  • Chain Isomerism (C.I.) : The compounds which have same molecular formula, same functional group but different arrangement of carbon chain (Parental or side chain) show chain isomerism. (ybstudy.com)
  • Position Isomerism (P.I.) : The compounds which have same molecular formula, same functional group, same parent carbon chain but different position of functional group or multiple bond or substituents, show position isomerism. (ybstudy.com)
Chemistry1
  • Nitschke, J. R. Systems chemistry: molecular networks come of age. (nature.com)
Different conformations2
  • A computational strategy to simulate two-dimensional electronic spectra (2DES) is introduced, which allows us to analyse ground state dynamics and to sample and measure different conformations attained by flexible molecular systems in solution. (nsf.gov)
  • Substrate-free SPH1118 adopted three different conformations in the open form. (nih.gov)
Backbone1
  • There is strong anisotropy of the backbone conformation and it becomes stronger as the molecular weight increases. (unl.pt)
Interaction1
  • 2019. Interaction mechanism between the focused ultrasound and lipid membrane at the molecular level . (ibpc.fr)
Mechanics1
  • An explicit mixed quantum mechanics/molecular mechanics (QM/MM) approach is employed for the evaluation of the necessary electronic excited state energies and transition dipole moments. (nsf.gov)
Infrared radiation1
  • After that point, the energy of infrared radiation in too low to produce the molecular conformation change needed to trigger a signal. (thoughtco.com)
Assemblies3
  • i) A novel approach is presented to explain the phenomenon that the ionization energy in molecular assemblies is orientation dependent. (hu-berlin.de)
  • It is demonstrated that this is due to an impact of intramolecular dipoles on the ionization energy in molecular assemblies. (hu-berlin.de)
  • Molecular crystals are one of the most simple of these assemblies and are widely used in a variety of applications from pharmaceuticals and agrochemicals, to nutraceuticals and cosmetics. (dannyvanpoucke.be)
Models2
  • The paper [ Xu22G ] describes one implementation of diffusion models for molecular 3d reconstruction. (appliedai.de)
  • Development and application of QM/continuum models to describe the effects of the environment of different complexities on molecular systems. (gaussian.com)
Gene2
  • These findings illustrate that inconsistent DNA methylation patterns (sporadic, mosaic and heterogeneous) may also influence gene regulation, thereby resulting in the modulation of chromatin conformation. (biomedcentral.com)
  • In most cases, addition of acetyl groups to histone tails causes gene activation by inducing and recruiting a euchromatin conformation and bromodomain containing transcription factors respectively for genes in close closeness to the acetylated histone [ 7,8 ]. (avensonline.org)
Fold1
  • Also, sometimes when I run docking from unbound components of the complex, I get this error message: ERROR: Conformation: fold_tree nres should match conformation nres. (rosettacommons.org)
Spectroscopy1
  • Single-molecule imaging, spectroscopy, and manipulation have uncovered how molecular systems effect function in living cells. (grc.org)
Polymers3
  • This means that the tendency for the chains to be confined between the smectic layers is stronger for larger molecular weight polymers. (unl.pt)
  • Godinho, MHF 1999, ' A small angle neutron scattering study of the effect of molecular weight on the conformation of side chain liquid crystal polymers in a smectic phase ', Molecular Crystals And Liquid Crystals , vol. 330, no. 1, pp. 285-292. (unl.pt)
  • For FimA from Escherichia coli , it has been previously shown that the protein can also adopt a monomeric, self-complemented conformation in which the donor strand is inserted intramolecularly in the opposite orientation relative to that observed for FimA polymers. (jbc.org)
Functional3
  • Functional Isomerism : Same molecular formula but different functional groups. (ybstudy.com)
  • Metamerism : Same molecular formula, same polyvalent Functional group but different alkyl groups attached to polyvalent Functional group. (ybstudy.com)
  • These dynamic conformations can act as functional genomic elements involved in DNA replication and transcription, chromatin organization and genome stability. (utexas.edu)
Cellular1
  • if immediate recombination does not occur, these can manifest as some type of molecular, cellular, or organic system alteration. (cdc.gov)
Genes1
  • Advantage of high-resolution melting curve analysis over conformation-sensitive gel electrophoresis for mutational screening of BRCA1 and BRCA2 genes. (cdc.gov)
Journal3
  • Journal of Molecular Catalysis A: Chemical, 319 (1-2). (lincoln.ac.uk)
  • Semack, A, Malik, RU & Sivaramakrishnan, S 2016, ' G protein-selective GPCR conformations measured using FRET sensors in a live cell suspension fluorometer assay ', Journal of Visualized Experiments , vol. 2016, no. 115, e54696. (umn.edu)
  • The Journal of molecular diagnostics : JMD 2013 Nov 15 (6): 796-809. (cdc.gov)
Cloning1
  • 2011) Molecular cloning and analysis of the UDP-glucose pyrophosphorylase in Streptococcus equi subsp. (jenabioscience.com)
Modeling1
  • B. Mennucci, C. Curutchet, "The role of the environment in electronic energy transfer: a molecular modeling perspective", Phys. (gaussian.com)
Prion strain2
  • Molecular analysis of prion strain variation and the aetiology of `new vari- ant' CJD. (cdc.gov)
  • Our work redefines the conceptual boundaries of prion strain and sheds light on key molecular features concerning an important class of pathogenic agents. (archives-ouvertes.fr)
Analyses2
  • Porcine Epidemic Diarrhea in Europe: In-Detail Analyses of Disease Dynamics and Molecular Epidemiology. (cdc.gov)
  • Molecular docking analyses of these lysosomotropic agents were performed, namely of fluoxetine, imipramine, chloroquine, verapamil, tamoxifen, amitriptyline, and chlorpromazine against important targets for the pathogenesis of SARS-CoV-2. (bvsalud.org)
Analysis1
  • Analysis of molecular variance (AMOVA) indicated a strong genetic differentiation among populations. (int-res.com)
Investigation1
  • Investigation of water desalination/purification with molecular dynamics and machine learning techniques ( Christos Stavrogiannis, Filippos Sofos, Theodoros. (grnet.gr)
Replica-exchange1
  • Impact of A2T and D23N Mutations on Tetrameric Aβ42 Barrel within a Dipalmitoylphosphatidylcholine Lipid Bilayer Membrane by Replica Exchange Molecular Dynamics. (ibpc.fr)
IUCr) Three isomeric 1-(2-chloronicotinoyl)-2-(nitro-phenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-...
IUCr) Three isomeric 1-(2-chloronicotinoyl)-2-(nitro-phenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-... (journals.iucr.org)
Dissipative particle dynamics simulations in colloid and Interface science: a review. | Semantic Scholar
Dissipative particle dynamics simulations in colloid and Interface science: a review. | Semantic Scholar (semanticscholar.org)
Jason M. Key, Ph.D. | Harvard Catalyst Profiles | Harvard Catalyst
Jason M. Key, Ph.D. | Harvard Catalyst Profiles | Harvard Catalyst (connects.catalyst.harvard.edu)
Frontiers | Dynamics Rationalize Proteolytic Susceptibility of the Major Birch Pollen Allergen Bet v 1
Frontiers | Dynamics Rationalize Proteolytic Susceptibility of the Major Birch Pollen Allergen Bet v 1 (frontiersin.org)
Gelation of |i|Antheraea pernyi|/i| Silk Fibroin Accelerated by Shearing
Gelation of |i|Antheraea pernyi|/i| Silk Fibroin Accelerated by Shearing (file.scirp.org)
Transition path times of coupled folding and binding reveal the formation of an encounter complex - Research Collection
Transition path times of coupled folding and binding reveal the formation of an encounter complex - Research Collection (research-collection.ethz.ch)
Heat shock proteins and hormesis in the diagnosis and treatment of neurodegenerative diseases | SpringerLink
Heat shock proteins and hormesis in the diagnosis and treatment of neurodegenerative diseases | SpringerLink (link.springer.com)
Volume 11, Number 2-February 2005 - Emerging Infectious Diseases journal - CDC
Volume 11, Number 2-February 2005 - Emerging Infectious Diseases journal - CDC (wwwnc.cdc.gov)
Aromaten - Wikipedia
Aromaten - Wikipedia (de.m.wikipedia.org)
MeSH Browser
MeSH Browser (meshb.nlm.nih.gov)
Molecular mechanisms of heterogeneous oligomerization of huntingtin proteins | Scientific Reports
Molecular mechanisms of heterogeneous oligomerization of huntingtin proteins | Scientific Reports (nature.com)
Search | Page 4 | The Embryo Project Encyclopedia
Search | Page 4 | The Embryo Project Encyclopedia (embryo.asu.edu)
PDF) Electron Capture Dissociation Mass Spectrometric Analysis of Lysine-Phosphorylated Peptides
PDF) Electron Capture Dissociation Mass Spectrometric Analysis of Lysine-Phosphorylated Peptides (researchgate.net)
Visible Light Definition and Wavelengths
Visible Light Definition and Wavelengths (thoughtco.com)
Wissenschaftliche Publikationen des Instituts | Max-Planck-Institut für Kolloid- und Grenzflächenforschung
Wissenschaftliche Publikationen des Instituts | Max-Planck-Institut für Kolloid- und Grenzflächenforschung (mpikg.mpg.de)
Mucus-based Materials | Max Planck Institute of Colloids and Interfaces
Mucus-based Materials | Max Planck Institute of Colloids and Interfaces (mpikg.mpg.de)
IJMS | Free Full-Text | AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better...
IJMS | Free Full-Text | AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better... (mdpi.com)
Publications Since 1929 | Carbohydrates Section | NIDDK
Publications Since 1929 | Carbohydrates Section | NIDDK (niddk.nih.gov)
Johnson, S. D.<...
Johnson, S. D.<... (pure.york.ac.uk)
ICML 2019
ICML 2019 (icml.cc)
ASTRA
ASTRA (wyatt.com)
Publisher: American Chemical Society - Linus Pauling - Profiles in Science Search Results
Publisher: American Chemical Society - Linus Pauling - Profiles in Science Search Results (profiles.nlm.nih.gov)
NLMID: 101584639X279 - Linus Pauling - Profiles in Science Search Results
NLMID: 101584639X279 - Linus Pauling - Profiles in Science Search Results (profiles.nlm.nih.gov)