The characteristic three-dimensional shape of a molecule.
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).
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.
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 used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.
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).
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.
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.
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.
The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
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.
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.
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)
The parts of a macromolecule that directly participate in its specific combination with another molecule.
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.
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)
Processes involved in the formation of TERTIARY PROTEIN STRUCTURE.
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.
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)
The rate dynamics in chemical or physical systems.
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.
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.
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.
Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.
A computer simulation developed to study the motion of molecules over a period of time.
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)
Measurement of the intensity and quality of fluorescence.
Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant & Hackh's Chemical Dictionary, 5th ed)
The transparent anterior portion of the fibrous coat of the eye consisting of five layers: stratified squamous CORNEAL EPITHELIUM; BOWMAN MEMBRANE; CORNEAL STROMA; DESCEMET MEMBRANE; and mesenchymal CORNEAL ENDOTHELIUM. It serves as the first refracting medium of the eye. It is structurally continuous with the SCLERA, avascular, receiving its nourishment by permeation through spaces between the lamellae, and is innervated by the ophthalmic division of the TRIGEMINAL NERVE via the ciliary nerves and those of the surrounding conjunctiva which together form plexuses. (Cline et al., Dictionary of Visual Science, 4th ed)
Electrophoresis in which a second perpendicular electrophoretic transport is performed on the separate components resulting from the first electrophoresis. This technique is usually performed on polyacrylamide gels.
A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.
Adherence of cells to surfaces or to other cells.
Bilateral hereditary disorders of the cornea, usually autosomal dominant, which may be present at birth but more frequently develop during adolescence and progress slowly throughout life. Central macular dystrophy is transmitted as an autosomal recessive defect.
A class of thiocarbamate derivatives whose salts possess fungicidal activity.
The pressure at any point in an atmosphere due solely to the weight of the atmospheric gases above the point concerned.
Carbamates in which the -CO- group has been replaced by a -CS- group.
The dissociation of molecules in the air into positive and negative ions under the influence of an electric field.
Large aggregates of CELESTIAL STARS; COSMIC DUST; and gas. (From McGraw Hill Dictionary of Scientific and Technical Terms, 6th ed)
The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds.
Software used to locate data or information stored in machine-readable form locally or at a distance such as an INTERNET site.
Antibiotic substance produced by Streptomyces garyphalus.
A pyridoxal-phosphate protein that reversibly catalyzes the conversion of L-alanine to D-alanine. EC 5.1.1.1.
A key enzyme in SPHINGOLIPIDS biosynthesis, this enzyme catalyzes the pyridoxal-5'-phosphate-dependent condensation of L-SERINE and PALMITOYL COENZYME A to 3-dehydro-D-sphinganine. The enzyme consists of two different subunits.
Members of the class of neutral glycosphingolipids. They are the basic units of SPHINGOLIPIDS. They are sphingoids attached via their amino groups to a long chain fatty acyl group. They abnormally accumulate in FABRY DISEASE.
A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.
It is a form of protection provided by law. In the United States this protection is granted to authors of original works of authorship, including literary, dramatic, musical, artistic, and certain other intellectual works. This protection is available to both published and unpublished works. (from Circular of the United States Copyright Office, 6/30/2008)
The guidelines and policy statements set forth by the editor(s) or editorial board of a publication.
"The business or profession of the commercial production and issuance of literature" (Webster's 3d). It includes the publisher, publication processes, editing and editors. Production may be by conventional printing methods or by electronic publishing.
Messages between computer users via COMPUTER COMMUNICATION NETWORKS. This feature duplicates most of the features of paper mail, such as forwarding, multiple copies, and attachments of images and other file types, but with a speed advantage. The term also refers to an individual message sent in this way.
An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.
A publication issued at stated, more or less regular, intervals.

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)

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 ...
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 ...
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
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
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 ...
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 ...
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.. ...
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. ...
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?
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 ...
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.
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 ...
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.. ...
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...
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 ...
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.
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 ...
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?
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…
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 ...
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?. ...
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.. ...
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.. ...
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.
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...
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 ...
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: ...
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 ...
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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
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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 ...
Elevate your workflow with the Polygon - Wild West asset from AnimPic Studio. Find this & other Environments options on the Unity Asset Store.
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!
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.). ...
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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
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.
See also: the MightexPolygon device adapter.). (Documentation to be written.). Click here to search for Polygon on the Micro-Manager mailing list archive.. ...
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. ...
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 ...
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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.,
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Three (S)-prolinol-derived conformationally restricted analogues of the antitubercular agent ethambutol were prepared and tested against Mycobacterium tuberculosis.
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 ...
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 - ...
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 ...
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. ...
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:. ...
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.
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 ...
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 ...
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 ...
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
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
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.. ...
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).
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 ...
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
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.
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
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° ...
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: ...
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). ...
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...
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 ...
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
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 ...
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 ...
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. ...
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.
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. ...
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 ...
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.
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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 ...
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. ...
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 […]
Modern Conformational Analysis. Elucidating Novel Exciting Molecular Structures. Edition No. 1. Methods in Stereochemical Analysis
When I first wrote about small-molecule structures obtained by microED (electron diffraction), I wondered if there were some way to get absolute stereochemistry
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 ...
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 ...
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.
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 ...
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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…
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…
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 ...
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.
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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
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 ...
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 ...
Dieter Cremer; Thomas Schmidt; Charles W. Bock (1985). "Theoretical determination of molecular structure and conformation. 14. ...
"Theoretical determination of molecular structure and conformation. 14. Is bicyclo[6.2.0]decapentaene aromatic or antiaromatic ...
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, ...
"Molecular conformation-activity relationship of decamethonium congeners". British Journal of Anaesthesia. 88 (5): 692-9. doi: ...
"Molecular conformation of estramustine and two analogues". Mol. Pharmacol. 41 (3): 569-76. PMID 1545778. Hauser AR, Merryman R ... The medication is of about 91% higher molecular weight than estradiol due to the presence of its C3 normustine and C17β ... Anticoagulant therapy with medications such as aspirin, warfarin, unfractionated and low-molecular-weight heparin, and vitamin ...
Dieter Cremer, "Theoretical determination of molecular structure and conformation. XI. The puckering of oxolanes", Israel ... THF is a weak Lewis base that forms molecular complexes with many transition metal halides. Typical complexes are of the ... 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. THF is a Lewis ...
... 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 ... Application to side-chain prediction". Journal of Molecular Biology. 230 (2): 543-74. doi:10.1006/jmbi.1993.1170. PMID 8464064 ...
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 ...
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 ...
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 ...
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 ...
"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 ...
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- ...
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 ...
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 ...
Acute-phase glycoproteins: molecular biology, biochemistry and clinical applications. CRC Press. pp. 3-19. DeMeo DL, Silverman ... Elliott PR, Abrahams JP, Lomas DA (January 1998). "Wild-type alpha 1-antitrypsin is in the canonical inhibitory conformation". ... Lomas DA (2005). "Molecular mousetraps, alpha1-antitrypsin deficiency and the serpinopathies". Clinical Medicine. 5 (3): 249-57 ... citation needed] Kalsheker N (April 1989). "Alpha 1-antitrypsin: structure, function and molecular biology of the gene". ...
"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 ...
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 ...
Mulloy B, Forster MJ, Jones C, Davies DB (1 January 1993). "N.M.R. and molecular-modelling studies of the solution conformation ... "N.M.R. and molecular-modeling studies of the solution conformation of heparin". Shaya D; Tocilj A.; et al. (2006). "Crystal ... 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 ...
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 ...
The polyadenylate RNA adopts an extended conformation running the length of the molecular trough. Adenine recognition is ...
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 ...
"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 ...
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. ...
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 ...
The molecule predominantly exists in its chair conformation, in which it possesses D3d molecular symmetry. Sander, M.; Blöchl, ...
Hagen "Gas-phase molecular structure and conformation of benzil as determined by electron diffraction" J. Phys. Chem., 1987, 91 ... anti-conformation. Most benzil is used in the free-radical curing of polymer networks. Ultraviolet radiation decomposes benzil ...
Affinity Chromatography is a separation technique based upon molecular conformation, which frequently utilizes application ... Second, proteins can be separated according to their size or molecular weight via size exclusion chromatography or by SDS-PAGE ... and it is not able to distinguish between proteins with similar apparent molecular weight. If the protein has a distinguishing ... milder detergents such as Triton X-100 or CHAPS can be used to retain the protein's native conformation during complete ...
A highly strained, higher energy molecular conformation will spontaneously convert to the lower energy molecular conformation. ... The equilibrium of two molecular conformations is determined by the difference in Gibbs free energy of the two conformations. ... The anti conformation of butane is approximately 0.9 kcal mol−1 (3.8 kJ mol−1) more stable than the gauche conformation. Both ... For example, n-butane has two possible conformations, anti and gauche. The anti conformation is more stable by 0.9 kcal mol−1. ...
... it had exactly the same molecular weight.[11][12] How something of such a large molecular mass could be consistently found, ... and conformation. Samples are centrifuged with a high-density solution such as sucrose, caesium chloride, or iodixanol. The ... hemoglobin has a molecular weight of 68,000 Da, suggesting that there are four iron atoms present rather than one, and that no ... The same molecular mass was determined, and the presence of a spreading boundary suggested that it was a single compact ...
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 ...
The heavier alkali metals also favour the sterically congested conformation.[142] Several crystal structures of organopotassium ... in a molecular dynamics (MD) simulation study". Biophys. Chem. 120 (1): 1-9. doi:10.1016/j.bpc.2005.10.002. PMID 16253415.. ... Molecular Metal-Metal Bonds: Compounds, Synthesis, Properties. John Wiley and Sons. pp. 23-24. ISBN 978-3-527-33541-1. .. ... though molecular dynamic simulations may indicate the existence of an octahedral hexaaqua ion. There are also probably six ...
Wayne, R. (1993). "Molecular evolution of the dog family". Trends in Genetics. 9 (6): 218-24. doi:10.1016/0168-9525(93)90122-X ... generally are backcrossed to domestic dogs to maintain a domestic temperament and consistent conformation. ...
Methods in Molecular Biology. 1402. Springer New York. pp. 119-134. doi:10.1007/978-1-4939-3378-5_10. ISBN 9781493933761. . ... The extended conformation of the chromosomes allows dramatically higher resolution - even down to a few kilobases. The ... Fluorescence in situ hybridization (FISH) is a molecular cytogenetic technique that uses fluorescent probes that bind to only ... or adopting a chromosome territory conformation, as in interphase FISH. This is accomplished by applying mechanical shear along ...
Molecular Pharmacology. 40 (3): 333-6. PMID 1654510.. *^ Maurice T, Junien JL, Privat A (Feb 1997). "Dehydroepiandrosterone ... weak modulators of GABAA receptor function because the flexible side chains in these analogues do not have the conformations ... The Journal of Steroid Biochemistry and Molecular Biology. 69 (1-6): 97-107. doi:10.1016/S0960-0760(98)00149-6. PMID 10418983. ... but 40 years later the molecular mechanism emerged to explain their depressant effect. In a rat brain slice preparation, the ...
Receptor binding, as well as membrane fusion, are catalyzed by the protein E, which changes its conformation at low pH, causing ... The UTR contains PKS3 pseudoknot structure which serves as a molecular signal to stall the exonuclease and is the only viral ... "Molecular targets for flavivirus drug discovery". Antiviral Research. 81 (1): 6-15. doi:10.1016/j.antiviral.2008.08.004. PMC ... "Out of Africa: a molecular perspective on the introduction of yellow fever virus into the Americas". PLoS Pathog. 3 (5): e75. ...
"Crystal and molecular structure of a benzo-a-pyrene 7,8-diol 9,10-epoxide N2-deoxyguanosine adduct: Absolute configuration and ... conformation". Proceedings of the National Academy of Sciences. Retrieved January 3, 2006.. ... In 2016, the molecular mechanism was uncovered as damage to the macrophage membrane's lipid raft integrity by decreasing ... A 1996 study provided molecular evidence linking components in tobacco smoke to lung cancer. BaP was shown to cause genetic ...
Each type of beta-glucan comprises a different molecular backbone, level of branching, and molecular weight which affects its ... Differences in molecular weight, shape, and structure of β-glucans dictate the differences in biological activity.[6][7] ... Typically, β-glucans form a linear backbone with 1-3 β-glycosidic bonds but vary with respect to molecular mass, solubility, ...
"Molecular and Cellular Biology. 22 (5): 1298-306. doi:10.1128/MCB.22.5.1298-1306.2002. PMC 134702. PMID 11839797.. ... The most basic such formation is the 10 nm fiber or beads on a string conformation. This involves the wrapping of DNA around ... "Molecular and Cellular Biology. 23 (5): 1590-601. doi:10.1128/MCB.23.5.1590-1601.2003. PMC 151715. PMID 12588979.. ... "Molecular and Cellular Biology. 12 (11): 5249-59. doi:10.1128/mcb.12.11.5249. PMC 360458. PMID 1406694.. ...
... and sugar pucker conformations. The presence or absence of imino proton resonances, or of coupling between 15N atoms across a ... The first NMR spectra reported for a uniform low molecular weight native-sequence DNA, made with restriction enzymes, was ... which tend to adopt complex conformations such as stem-loops and pseudoknots. Interactions between RNA and metal ions can be ... studies focussed on tRNA because these nucleic acids were the only samples available at that time with low enough molecular ...
Boulpaep EL, Boron WF (2005). Medical physiology: a cellular and molecular approach. St. Louis, Mo: Elsevier Saunders. p. 90. ... Change in the receptor conformation such that binding of the agonist does not activate the receptor. This is seen with ion ... As a drug approaches a receptor, the receptor alters the conformation of its binding site to produce drug-receptor complex. ... Molecular Pharmacology. 64 (6): 1271-6. doi:10.1124/mol.64.6.1271. PMID 14645655.. ...
"for his studies of the molecular basis of eukaryotic transcription"[۳۷] ۲۰۰۹ عادا یونات Israel "for studies of the structure ... especially concerning the connection between the amino acid sequence and the biologically active conformation"[۲۶] ... "for his contribution to the development of the molecular ray method and his discovery of the گشتاور مغناطیسی of the پروتون"[۸۷] ...
"Molecular Biochemistry I. Rensselaer Polytechnic Institute. Retrieved 2009-01-10.. *. Goodsell DS (2001-12-01). "Glycogen ... There is also an alternative proposed mechanism involving a positively charged oxygen in a half-chair conformation.[3] ... Nogales-Gadea G, Arenas J, Andreu AL (January 2007). "Molecular genetics of McArdle's disease". Curr Neurol Neurosci Rep. 7 (1 ... AMP activates glycogen phosphorylase b by changing its conformation from a tense to a relaxed form. This relaxed form has ...
Crystal and molecular structure of a benzo-a-pyrene 7,8-diol 9,10-epoxide N2-deoxyguanosine adduct: Absolute configuration and ... conformation [online]. [cit. 2006-01-03]. (Proceedings of the National Academy of Sciences). Dostupné online.. ...
N.M.R. and molecular-modelling studies of the solution conformation of heparin»։ Biochem. J. 293 (Pt 3): 849-858։ հունվարի 1, ... B. Mulloy, M.J. Forster։ «N.M.R. and molecular-modeling studies of the solution conformation of heparin» ... Fractionation of proteins by heparin chromatography։ Methods Mol Biol։ Methods in Molecular Biology™ 424։ 2008։ էջեր 213-21։ ... Eikelboom JW, Hankey GJ, Hankey (2002)։ «Low molecular weight heparins and heparinoids»։ The Medical Journal of Australia 177 ( ...
The hydroxyl group also forces the ribose into the C3'-endo sugar conformation unlike the C2'-endo conformation of the ... "Journal of Molecular Evolution. 73 (1-2): 10-22. Bibcode:2011JMolE..73...10E. doi:10.1007/s00239-011-9453-4. PMC 3223571. PMID ... A replicating, low molecular weight RNA". Virology. 45 (2): 411-28. doi:10.1016/0042-6822(71)90342-4. PMID 5095900.. ... Crick FH (Dec 1968). "The origin of the genetic code". Journal of Molecular Biology. 38 (3): 367-79. doi:10.1016/0022-2836(68) ...
Murata S, Yashiroda H, Tanaka K (February 2009). "Molecular mechanisms of proteasome assembly". Nature Reviews Molecular Cell ... Three distinct conformational states of the 26S proteasome.[37] The conformations are hypothesized to be responsible for ... "Journal of Molecular and Cellular Cardiology. 71: 3-10. doi:10.1016/j.yjmcc.2013.12.015. PMC 4011959. PMID 24380730.. ... "Molecular Biology of the Cell. 18 (1): 153-65. doi:10.1091/mbc.E06-04-0338. PMC 1751312. PMID 17065559.. ...
Microbiology and Molecular Biology Reviews. 61 (2): 136-69. doi:10.1128/.61.2.136-169.1997. PMC 232605. PMID 9184008.. ... When the cytoplasmic receptors MDA5 and RIG-I recognize a virus the conformation between the caspase-recruitment domain (CARD) ... Alberts B, Johnson A, Lewis J, Raff M, Roberts K, Walters P (2002). Molecular Biology of the Cell (Fourth ed.). New York and ... but are also able to react to a group of highly specialized molecular signals produced by other cells, called cytokines. The ...
Methods in Molecular Biology 849: 493-506. ISBN 978-1-61779-550-3. PMID 22528111. doi:10.1007/978-1-61779-551-0_33.. ... "The Alzheimer's peptides Abeta40 and 42 adopt distinct conformations in water: a combined MD / NMR study". J. Mol. Biol. 368 ... Methods in Molecular Biology 849: 507-527. ISBN 978-1-61779-550-3. PMID 22528112. doi:10.1007/978-1-61779-551-0_34.. ... Parker MH, Reitz AB (2000). "Assembly of β-Amyloid Aggregates at the Molecular Level". Chemtracts-Organic Chemistry 13 (1): 51- ...
Tolerogen - A substance that invokes a specific immune non-responsiveness due to its molecular form. If its molecular form is ... Antigen specificity is due primarily to the side-chain conformations of the antigen. It is measurable and need not be linear or ... At the molecular level, an antigen can be characterized by its ability to bind to an antibody's variable Fab region. Different ... It was expanded later to refer to any molecule or a linear molecular fragment after processing the native antigen that can be ...
"Molecular Biology of the Cell. 8 (9): 1709-21. doi:10.1091/mbc.8.9.1709. PMC 305731. PMID 9307968.. ... In the absence of CDC42 and PIP2, N-WASp is in an inactive, locked conformation.[9] Cooperative binding of both CDC42 and PIP2 ... Molecular function. • phospholipase binding. • GTPase regulator activity. • SH3 domain binding. • protein binding. • identical ... Oda A, Eto K (April 2013). "WASPs and WAVEs: from molecular function to physiology in hematopoietic cells". Seminars in Cell & ...
Molecular function. • chaperone binding. • ion channel binding. • microtubule binding. • ATP-dependent protein binding. • metal ... The conversion of PrPC to PrPSc conformation is the mechanism of transmission of fatal, neurodegenerative transmissible ... Castilla J, Hetz C, Soto C (2004). "Molecular mechanisms of neurotoxicity of pathological prion protein". Curr Mol Med. 4 (4): ... Barco A, Bailey CH, Kandel ER (June 2006). "Common molecular mechanisms in explicit and implicit memory". J. Neurochem. 97 (6 ...
"for his studies of the molecular basis of eukaryotic transcription"[98] 2007 گر ہارڈ ارٹل جرمنی "for his studies of chemical ... "for their contributions to the development of the concept of conformation and its application in chemistry"[61] ... for his work on] molecular structure through his investigations on dipole moments and the diffraction of X-rays and electrons ... "for his fundamental work concerning chemical bonds and the electronic structure of molecules by the molecular orbital method"[ ...
In 2002, researchers at The Randall Division of Cell and Molecular Biophysics determined the structure of IgE.[34] ... "The crystal structure of IgE Fc reveals an asymmetrically bent conformation". Nat. Immunol. 3 (7): 681-6. doi:10.1038/ni811. ... Molecular structure and patterns of in vivo exposure". Int. Arch. Allergy Immunol. 142 (1): 40-50. doi:10.1159/000095997. PMID ...
Wang J (2002). "Cellular roles of DNA topoisomerases: a molecular perspective". Nat Rev Mol Cell Biol 3 (6): 430-40. doi: ... "Single-stranded adenine-rich DNA and RNA retain structural characteristics of their respective double-stranded conformations ... 3.0 3.1 Alberts, Bruce; Alexander Johnson, Julian Lewis, Martin Raff, Keith Roberts and Peter Walters (2002). Molecular Biology ...
Molecular function. • calcium ion binding. • peptidase activity. • protein binding. • serine-type peptidase activity. • serine- ... Factor Xa inhibitors generally bind in an L-shaped conformation, where one group of the ligand occupies the anionic S1 pocket ... Marchetti G, Castaman G, Pinotti M, Lunghi B, Di Iasio MG, Ruggieri M, Rodeghiero F, Bernardi F (August 1995). "Molecular bases ... Reddy SV, Zhou ZQ, Rao KJ, Scott JP, Watzke H, High KA, Jagadeeswaran P (October 1989). "Molecular characterization of human ...
Methods in Molecular Biology (Clifton, N.j.). Methods in Molecular Biology. 815. pp. 15-24. doi:10.1007/978-1-61779-424-7_2. ... The shape into which a protein naturally folds is known as its native conformation.[20] Although many proteins can fold ... Methods in Molecular Biology. Methods in Molecular Biology™. 424. pp. 225-39. doi:10.1007/978-1-60327-064-9_19. ISBN 978-1- ... "Cellular & Molecular Biology Letters. 14 (1): 1-22. doi:10.2478/s11658-008-0024-7. PMC 6275871. PMID 18839074.. ...
Molecular conformation. Definition. Molecular conformation is any spatial arrangement of the atoms in a molecule which can be ... Molecular structure and function of myelin protein P0 in membrane stacking *Arne Raasakka ... Biopolymers, such as polynucleotides, polypeptides or polysaccharides, may change conformation in response to changes in their ...
Conformation Abstract This chapter introduces two basic examples of direct electrical control of biomolecular conformation, ... Electrochemistry can Drive Molecular Conformation. Abstract. This chapter introduces two basic examples of direct electrical ... In both cases, the action of an applied electric field results in the modulation of protein conformation mediated by the ... control of biomolecular conformation, namely, voltage-gated ion channels in excised, surface immobilized, biological membranes ...
... 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 ...
It has been shown by the methods of IR spectroscopy and molecular mechanics that dimethyl (hydroxymethyl) phosphine oxide ... V. G. Dashevskii, Conformations of Organic Molecules [in Russian], Khimiya, Moscow (1974), pp. 65-145.Google Scholar ... Oxide Hydrogen Spectroscopy Hydrogen Bond Molecular Mechanic These keywords were added by machine and not by the authors. This ... It has been shown by the methods of IR spectroscopy and molecular mechanics that dimethyl (hydroxymethyl) phosphine oxide ...
"Bond Properties and Molecular Conformation from Vibrational Intensity Analysis." Croatica Chemica Acta, vol. 61, br. 3, 1988, ... "Bond Properties and Molecular Conformation from Vibrational Intensity Analysis." Croatica Chemica Acta 61, br. 3 (1988): 569- ... Bond Properties and Molecular Conformation from Vibrational Intensity Analysis. B. Galabov ; Department of Chemistry, ... B. Galabov, T. Dudev i J.R. Durig, "Bond Properties and Molecular Conformation from Vibrational Intensity Analysis", Croatica ...
In distinction to Extended Hückel Theory which predicts as the most stable conformation of free zwitterionic GABA a totally ... Molecular orbital studies on the conformation of GABA (γ-aminobutyric acid). The isolated molecule and the solvent effect ... This and a number of similar results show that we have to adapt our thinking on the role of conformations in pharmacological ... Ham,N.S.: In: Bergmann,E.D., Pullman,B. (Eds.): Molecular and quantum pharmocology, Proceedings of the 7th Jerusalem Symposium ...
Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor.. Weiss DR1, ... Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor ... Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor ... Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor ...
... molecular interactions, which determined the equilibrium population of conformations and the dynamics of conformational ... Overall, the complementary use of MD simulations and experiments provided a deep molecular insight into structure-property ... However, the relationship between molecular structure and material properties has not been explicitly elucidated. In this work ... the sequence distribution and microstructure of random copolymers were quantitatively investigated by means of a molecular ...
In silico molecular docking investigations were carried out in order to assess the means of intera ... In silico molecular docking investigations were carried out in order to assess the means of interaction at a molecular level ... Permethrin and its metabolites affect Cu/Zn superoxide conformation: fluorescence and in silico evidences G. Rosita, C. Manuel ... Permethrin and its metabolites affect Cu/Zn superoxide conformation: fluorescence and in silico evidences ...
The shape of proteins can change by small or large amounts; another term for shape is conformation. ... The second edition of Molecular Conformations presents the latest science in the molecular biology of protein folding. A new ... The shape of proteins can change by small or large amounts; another term for shape is conformation. ...
Denaturation and solvent effect on the conformation and fibril formation of TGFBIp. Heather L. Grothe,1 Morgan R. Little,1 ... The conformation of TGFBIp at 0 or 5% TFE remained unchanged after extensive incubation (48 h, data not shown) and did not ... Molecular properties of wild-type and mutant betaIG-H3 proteins. Invest Ophthalmol Vis Sci. 2002; 43:656-61. [PMID: 11867580] ... Molecular cloning and in situ hybridization in corneal tissues. Invest Ophthalmol Vis Sci. 1997; 38:893-900. [PMID: 9112985] ...
... and fluorometric study of the conformation of the bradykinin antagonist B-9340 in water and in aqueous micellar solutions. ... AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN ...
Coupling molecular conformation to polymer chemistry and composition via flow. Welcome to the IDEALS Repository. ... Coupling molecular conformation to polymer chemistry and composition via flow. Marvin, Michael D ... There remain, however, fundamental questions about how flows couple to molecular degrees of freedom and vice versa. This ...
... vibrational sum frequency generation spectroscopy was used to investigate molecular structures of 1,2-dipalmitoyl-sn-glycero-3- ... Molecular conformation of DPPC phospholipid Langmuir and Langmuir-Blodgett monolayers studied by heterodyne-detected ... Molecular conformation of DPPC phospholipid Langmuir and Langmuir-Blodgett monolayers studied by heterodyne-detected ... From the spectral changes, the molecular structure of the monolayer in each phase was deduced at the molecular level. We ...
... when Zn indicated studied in intermediate at 250 download molecular Zn on DM graph, historical seasonality of were invited with ... levels of download molecular conformation and organic photochemistry time resolved events. In download molecular conformation ... legal; download molecular conformation of water per prism. 001) points, first; download molecular conformation and organic ... limits in Physiology, 5, 1-7. model-averaged download molecular conformation and. download molecular conformation and organic ...
Sampling molecular conformations and dynamics in a multiuser virtual reality framework. *View ORCID ProfileMichael OConnor1,2, ... Sampling molecular conformations and dynamics in a multiuser virtual reality framework. By Michael OConnor, Helen M. Deeks, ... Sampling molecular conformations and dynamics in a multiuser virtual reality framework. By Michael OConnor, Helen M. Deeks, ... Sampling molecular conformations and dynamics in a multiuser virtual reality framework Message Subject. (Your Name) has ...
Conformation of the Deoxyribonucleic Acid-Binding Peptide Antibiotic Echinomycin Based on Energy Calculations. GIOVANNI UGHETTO ... Conformation of the Deoxyribonucleic Acid-Binding Peptide Antibiotic Echinomycin Based on Energy Calculations. GIOVANNI UGHETTO ... Conformation of the Deoxyribonucleic Acid-Binding Peptide Antibiotic Echinomycin Based on Energy Calculations. GIOVANNI UGHETTO ... Your Name) has forwarded a page to you from Molecular Pharmacology Message Body (Your Name) thought you would be interested in ...
Molecular Structure Subject Protein Conformation Remove constraint Subject: Protein Conformation ... You searched for: Format Text Remove constraint Format: Text Subject Molecular Structure Remove constraint Subject: ...
Distance Geometry and Molecular Conformation. Research Studies Press Ltd., Taunton, Somerset, England, 1988.zbMATHGoogle ... Parallel Algorithm Communication Step Distance Geometry Molecular Conformation Problem Early Parallelizations These keywords ... Parallel Graph Algorithms for Molecular Conformation and Tree Codes. Ph.D. thesis, University of Central Florida, Orlando, ... Parallel Algorithms for the Molecular Conformation Problem. Ph.D. thesis, University of Central Florida, Orlando, Florida, 1999 ...
A hypothesis is proposed, based on molecular models, that D-cycloserine has the conformation required of the substrates on the ... Alanine Racemase from Staphylococcus aureus: Conformation of Its Substrates and Its Inhibitor, D-Cycloserine. ULDIS ROZE and ... Your Name) has forwarded a page to you from Molecular Pharmacology Message Body (Your Name) thought you would be interested in ... Alanine Racemase from Staphylococcus aureus: Conformation of Its Substrates and Its Inhibitor, D-Cycloserine. ULDIS ROZE and ...
oa South African Journal of Chemistry - Crystal structure and molecular conformation of 2,3-dicyclopropyl-1,4-naphthoquinone * ... Crystal structure and molecular conformation of 2,3-dicyclopropyl-1,4-naphthoquinone, Page 1 of 1 ...
Molecular Structure Subject Protein Conformation Remove constraint Subject: Protein Conformation ... You searched for: Publisher American Chemical Society Remove constraint Publisher: American Chemical Society Subject Molecular ...
EFFECT OF MOLECULAR CONFORMATION CHANGES ON THE\=PHASE BEHAVIOR OF LIQUID CRYSTALLINE POLYMERS. @inproceedings{ ... EFFECT OF MOLECULAR CONFORMATION CHANGES ON THE\=PHASE BEHAVIOR OF LIQUID CRYSTALLINE POLYMERS}, author={Zhou Da-fei}, year={ ...
Title:GEOM: Energy-annotated molecular conformations for property prediction and molecular generation. Authors:Simon Axelrod, ... inferring 3D properties from 2D molecular graphs, and developing generative models to sample 3D conformations. Subjects:. ... Molecular properties arise from the contribution of many conformers, and in the case of a drug binding a target, may be due ... Molecular representations in machine learning are typically based on either one single 3D conformer or on a 2D graph that ...
Home , N-terminal Huntingtin (Htt) phosphorylation is a molecular switch regulating Htt aggregation, helical conformation, ...
1H, 13C and 31P n.m.r. spectra and molecular conformation of myo-inositol 1,4,5-triphosphate. J C Lindon, D J Baker, R D ... 1H, 13C and 31P n.m.r. spectra and molecular conformation of myo-inositol 1,4,5-triphosphate ... 1H, 13C and 31P n.m.r. spectra and molecular conformation of myo-inositol 1,4,5-triphosphate ... 1H, 13C and 31P n.m.r. spectra and molecular conformation of myo-inositol 1,4,5-triphosphate ...
The conformation of hetero cyclic spiro compounds part 3 the crystal and molecular structure of n beta hydroxyethyl granatanine ... The conformation of hetero cyclic spiro compounds part 2 the crystal and molecular structure of n methyl granatanine 3 spiro 5 ... The conformation of hetero cyclic spiro compounds part 3 the crystal and molecular structure of n beta hydroxyethyl granatanine ... The conformation of hetero cyclic spiro compounds part 3 the crystal and molecular structure of n beta hydroxyethyl granatanine ...
Molecular dynamics simulations of polypeptide conformations in water a comparison of alpha beta and p i i conformations ... Molecular dynamics stimulations of polypeptide conformations in water a comparison of alpha beta and p i i conformations. FASEB ... Molecular dynamics simulations of polypeptide conformations in water: A comparison of α, β, and poly(pro)II conformations. ... Molecular conformations in the pentasaccharide LNF-1 derived from NMR spectroscopy and molecular dynamics simulations. Journal ...
Magid L.J., Martin C.A. (1984) 13C NMR Studies of Molecular Conformations and Interactions in the Curved Surfactant Monolayers ... 13C NMR Studies of Molecular Conformations and Interactions in the Curved Surfactant Monolayers of Aerosol OT Water-in-Oil ...
  • Overall, the complementary use of MD simulations and experiments provided a deep molecular insight into structure-property relationships, which will provide theoretical guidance for the rational design and preparation of high-performance siloxanes. (mdpi.com)
  • We describe a framework for interactive molecular dynamics in a multiuser virtual reality (VR) environment, combining rigorous cloud-mounted atomistic physics simulations with commodity VR hardware, which we have made accessible to readers (see isci.itch.io/nsb-imd ). (sciencemag.org)
  • The current fashion for using pure molecular dynamics calculations is to run multiple simulations to generate a collection of energy landscapes for exploring the available conformations. (cresset-group.com)
  • Using homology modelling and molecular dynamics simulations, we find that all mussel adhesive proteins are largely unordered, with Pvfp-5 adopting a disordered structure and elongated conformation whereby all Dopa residues reside on the protein surface. (ntu.edu.sg)
  • Molecular dynamics simulations and cluster analysis have been used to select the molecular conformations, reducing the complexity of the flexible ApA conformational space. (escholarship.org)
  • Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. (iclr.cc)
  • We employ molecular dynamics simulations to study the solubility and molecular conformations of n-alkane chains in water. (princeton.edu)
  • Molecular dynamics simulations of adipocyte lipid-binding protein: effect of electrostatics and acyl chain unsaturation. (nyu.edu)
  • Molecular dynamics (MD) simulations have been performed on adipocyte lipid-binding protein, using the apo and holo forms, bound with stearic and oleic acid. (nyu.edu)
  • The conformational preference of a [2]rotaxane system has been examined by molecular dynamics simulations. (irbbarcelona.org)
  • Investigating the structural properties of the active conformation BTL2 of a lipase from Geobacillus thermocatenulatus in toluene using molecular dynamic simulations and engineering BTL2 via in-silico mutation. (acibadem.edu.tr)
  • An investigation of the conformation of peptide-T and its D-Ala analog by NMR and molecular dynamics simulations. (bvsalud.org)
  • The conformation of these important peptides has been investigated by 2D-NMR and molecular dynamics simulations . (bvsalud.org)
  • This result is in line with molecular dynamics simulations where beta-turns were found to occur with a low frequency and with energies 10 to 17 kcal/ mole higher than the global minimum structure. (bvsalud.org)
  • Molecular dynamics simulations of Msx-1-DNA complex (Q50-TG) and its variant complexes, that is specific (Q50K-CC), nonspecific (Q50-CC) having mutation in DNA and (Q50K-TG) in protein, have been carried out. (osdd.net)
  • Applications will comprise the third part and will consider applications of DGP to NMR structure calculation, rational drug design, molecular dynamics simulations, graph drawing and sensor network localization. (springer.com)
  • HCl dissociation in methanol clusters from Ab initio molecular dynamics simulations and inner-shell photoelectron spectroscopy. (uib.no)
  • Binding of muscarinic ligands, both antagonists and agonists, and their effects on the conformation of the M2 acetylcholine receptor were modeled in silico and compared to experimental data. (elsevier.com)
  • The solvent effects on the conformation and vibrational spectra of glycyl-L-alanine zwitterion in solvents of \varepsilon = 2.2 and 78 have been investigated by the self-consistent reaction field theory. (iisc.ac.in)
  • The simulation results indicated the attraction between adjacent phenyl groups that were effectively strengthened intra- and inter- molecular interactions, which determined the equilibrium population of conformations and the dynamics of conformational transitions. (mdpi.com)
  • While significant progress has been made in molecular genetics to successfully establish the link between the missense mutations of TGFBI and TGFBIp -related corneal dystrophies, the underlying mechanism for the abnormal aggregation remains elusive due to the lack of insights into the conformational perturbations induced by mutations. (molvis.org)
  • It's easy to forget that a single crystal structure is a static snapshot of a single conformation from an ensemble of available conformational states. (cresset-group.com)
  • Even when there are a series of related crystal structures in differing conformational states, this still does not give the complete picture of all the available protein conformations or indeed any information on the protein energy landscape, so the energy barriers and population states of the observed conformations remain unknown. (cresset-group.com)
  • This is when molecular dynamics can help fill in the missing pieces of the conformational puzzle and protein energy landscape. (cresset-group.com)
  • Analysis of these conformations from a molecular dynamics calculation can enable the assessment of protein movements and the identification of different lower energy conformational states for the system. (cresset-group.com)
  • These findings suggest that the T315I mutation shifts the conformational equilibrium of the kinase in favour of an active (DFG-in) A-loop conformation, which has more optimal binding interactions with axitinib. (nih.gov)
  • The influence of solvation on the co-conformation of the [2]rotaxane was evaluated by comparing the conformational flexibility in two solvents: chloroform and dimethyl sulfoxide. (irbbarcelona.org)
  • Our main contributions are i) introduction of newly implemented STMD in LAMMPS, ii) use of large scale distributed cyber infrastructure including Amazon EC2 and the nationwide distributed computing infrastructure GENI, in addition to High-performance Computing (HPC) cluster systems, and iii) benchmark and simulation results highlighting advantages and potentials of STMD and RESTMD for challenging large-scale bio molecular conformational search. (collegestudentproject.com)
  • Conformational isomerism is a form of isomerism and describes the phenomenon of molecules with the same structural formula having different chemical conformations or conformers due to atoms rotating about a bond. (factbites.com)
  • POLYMORPHS Polymorphism can be defined as a substance which can exist in two or more crystalline forms in which the molecules have different arrangements (packing polymorphism) and/or conformations (conformational polymorphism) in the crystal lattice. (scribd.com)
  • The normal mode-, MD-, and NMR-based conformation greatly expand the conformational sampling used herein for in silico identification of potential Mcl-1 inhibitors. (dovepress.com)
  • This and a number of similar results show that we have to adapt our thinking on the role of conformations in pharmacological activity to this situation, which was frequently obscured by the more abundant results of X-ray crystallography yielding a single conformation. (springer.com)
  • Not unexpectedly attempts to characterize a single conformation of cyclo-[β-ala]3by X-ray crystal structure analysis and2H n.m.r. were unsuccessful. (tropmedres.ac)
  • Banfield himself felt not proliferated by Simon and sent his structural download molecular into the good-nature of environment challenge in Chicago( Meyerson and Banfield, 1955). (tinogil.com)
  • The vector stencils library "Conformations" contains 32 symbols of ring conformations, Newman and Fisher projections for chemical and biochemical drawing the molecular models and structural formulas of organic molecules and biochemical metabolites, the conformers spatial structures of organic molecules, the schemes of stereospecific chemical reactions in organic synthesis. (conceptdraw.com)
  • Nevertheless, analytical techniques capable of characterising lyophilised pharmaceuticals are needed to study the stability of these proteins by investigating the molecular, structural and dynamic properties of lyocakes in the solid state. (europeanpharmaceuticalreview.com)
  • Three-dimensional (3D) reconstruction and molecular modeling indicated that HA was in the prefusion state and suggested that the oligomerization and the structural polymorphisms observed were due to hydrophobic interactions involving the transmembrane regions. (pubmedcentralcanada.ca)
  • Nature Structural & Molecular Biology, Vol. 23, Issue. (cambridge.org)
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  • The potential Mcl-1 ligands are evaluated and computationally docked on to three conformation ensembles generated by normal mode analysis (NMA), molecular dynamics (MD), and nuclear magnetic resonance (NMR), respectively. (dovepress.com)
  • Potential energy calculations and geometrical requirements for ring closure limit the number of allowed conformations for the peptide ring of echinomycin to a very few. (aspetjournals.org)
  • Possible molecular conformations in peptide nanorings and nanotubes were theoretically investigated by a mathematical conformation analysis as well as ab initio Hartree-Fock calculations. (elsevier.com)
  • Despite extensive recent reports on combinatorially selected inorganic-binding peptides and their bionanotechnological utility as synthesizers and molecular linkers, there is still only limited knowledge about the molecular mechanisms of peptide binding to solid surfaces. (nyu.edu)
  • Here we discuss the effects of constraints imposed on FliTrx-selected gold-binding peptide molecular structures upon their quantitative gold-binding affinity. (nyu.edu)
  • Our findings differ from previous reports on the conformation of peptide -T determined by NMR. (bvsalud.org)
  • The conformation of the peptide Boc-Phe-Val-OMe is compared with the conformation of Ac-ΔPhe-Val-OH. (ias.ac.in)
  • Heterodyne-detected (phase-sensitive) vibrational sum frequency generation spectroscopy was used to investigate molecular structures of 1,2-dipalmitoyl- sn-glycero -3-phosphocholine (DPPC) monolayers on water (Langmuir monolayer) and monolayers on a fused silica substrate (Langmuir-Blodgett [LB] monolayer). (rsc.org)
  • It allows users to visualize and sample, with atomic-level precision, the structures and dynamics of complex molecular structures "on the fly" and to interact with other users in the same virtual environment. (sciencemag.org)
  • Molecular dynamics calculations help to map the energy landscape by solvating the protein with explicit water molecules then adding energy into the system to allow it to move, generating an ensemble of protein structures. (cresset-group.com)
  • During this process snapshots of the protein are taken at predefined time steps, calculating a series of protein structures which are likely to be representative of the biologically relevant protein conformations. (cresset-group.com)
  • Generating a large number of structures from a collection of discrete molecular dynamics calculations allows for more confidence in the obtained results and less susceptibility to the numerical noise that can occur in a single calculation. (cresset-group.com)
  • Frizzell C.J., in het Panhuis M., Coutinho D.H., Balkus K.J., Minett A.I., Blau W.J. and Coleman J.N. `Reinforcement of macroscopic carbon nanotube structures by polymer intercalation: The role of polymer molecular weight and chain conformation? (tcd.ie)
  • We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. (iclr.cc)
  • On the other hand, the c- and l-forms of AuBP2 have different molecular structures, leading to differences in their gold-binding affinities. (nyu.edu)
  • ConceptDraw Chemistry solution can be used as a tool for creating chemical schemes and diagrams of chemical lab set-ups and labware, formulas, reaction schemes, and molecular structures. (conceptdraw.com)
  • 5 Hydrogen Bonding and Molecular Packing in Multi-Functional Crystal Structures ( Ashwini Nangia ). (wiley.com)
  • beta-Turns and non-specific folded conformations are present in a small proportion in the ensemble of conformations, which is largely dominated by more or less extended structures. (bvsalud.org)
  • In short, polymorphs have the same chemical composition, different lattice structures and/or different molecular conformations. (scribd.com)
  • These experiments suggest that characterization of the molecular structures of influenza virus HA complexes used in subunit vaccines will lead to better understanding of the differences in vaccine efficacy and to the optimization of subunit vaccines to prevent influenza virus infection. (pubmedcentralcanada.ca)
  • Since the GpA transmembrane segment (and, presumably, the V 18 segment) is helical in the lipid-embedded form of the protein [ 8 , 9 ], this suggests that a hydrophobic segment with low helix potential in water may enter the translocon as an extended stretch of polypeptide and will only fold into a helical conformation upon lateral exit from the translocation channel into the lipid bilayer. (biomedcentral.com)
  • After docking of antagonists to the M2 receptor in an inactive conformation (3UON, 5ZK3, 5ZKB, or 5ZKB) and agonists in an active conformation (4MQS), 100 ns of conventional molecular dynamics (MD) followed by 500 ns of accelerated MD was run. (elsevier.com)
  • Sex chromosomes, recombination, and chromatin conformation. (nih.gov)
  • 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)
  • Therefore the present study focuses to understand the correlation of inconsistency and heterogeneity in DNA methylation patterns during developmental time with altered chromatin conformation and thereby gene regulation. (biomedcentral.com)
  • However, the agonist-bound state provides an uncertain template for modeling the activated conformation of other GPCRs, as a dopamine D2 receptor (DRD2) activated model templated on the activated β2AR structure returned few hits of only marginal potency. (nih.gov)
  • However, the relationship between molecular structure and material properties has not been explicitly elucidated. (mdpi.com)
  • From the spectral changes, the molecular structure of the monolayer in each phase was deduced at the molecular level. (rsc.org)
  • These require significant investment, as the studies run for weeks to months and require a battery of testing including techniques to determine changes that may be indicators of decreased stability, such as secondary and tertiary structure, high or low molecular weight species, and pH. (europeanpharmaceuticalreview.com)
  • In: Journal of Molecular Structure: THEOCHEM, 638 (1-3). (iisc.ac.in)
  • NDL India: Studies In Molecular Structure, Symmetry And Conformation. (iitkgp.ac.in)
  • Journal of Molecular Structure 789(1-3): 100-111. (uni-bielefeld.de)
  • Journal of Molecular Structure 789, 100-111. (uni-bielefeld.de)
  • Journal of Molecular Structure , 789(1-3), p 100-111. (uni-bielefeld.de)
  • Journal of Molecular Structure 789.1-3 (2006): 100-111. (uni-bielefeld.de)
  • Samples lyophilized from 50% acetonitrile/50% water show chemical shifts characteristic of a beta-sheet conformation in the region corresponding to residues 112-121, whereas samples lyophilized from hexafluoroisopropanol display shifts indicative of alpha-helical secondary structure in the region corresponding to residues 113-117. (factbites.com)
  • We have examined the effect of substituents on nicotine's structure, conformation , and chemical r~activity: A chemical model for nicotinic activity has been developed by a thorough evaluation of the methylation of these analogues, thereby simultaneousl~ quantifying the relative and absolute nitrogen nucleophilicities of these nicotinoids. (factbites.com)
  • Nanodroplets: Experimental and molecular-modeling-based investigations of the formation, structure, stability and properties of free, neutral nanodroplets or clusters formed by molecules. (uib.no)
  • Theoretical determination of molecular structure and conformation. (wikipedia.org)
  • The second edition of Molecular Conformations presents the latest science in the molecular biology of protein folding. (bookboon.com)
  • The editors are in correspondence with the major contributors to the field of distance geometry, including important research centers in molecular biology such as Institut Pasteur in Paris. (springer.com)
  • Molecular Membrane Biology, Vol. 32, Issue. (cambridge.org)
  • Journal of Molecular Biology, Vol. 429, Issue. (cambridge.org)
  • This dataset will assist benchmarking and transfer learning in two classes of tasks: inferring 3D properties from 2D molecular graphs, and developing generative models to sample 3D conformations. (arxiv.org)
  • Inspired by the recent progress in deep generative models, in this paper, we propose a novel probabilistic framework to generate valid and diverse conformations given a molecular graph. (iclr.cc)
  • Extensive experiments demonstrate the superior performance of the proposed method on several benchmarks, including conformation generation and distance modeling tasks, with a significant improvement over existing generative models for molecular conformation sampling. (iclr.cc)
  • abstract = "OBJECTIVE: To assess the molecular mechanism of rifampin (RMP) resistance in clinical strains of Mycobacterium tuberculosis. (elsevier.com)
  • The Geometrical Embedding Of Molecules (GEOM) dataset contains over 33 million molecular conformers labeled with their relative energies and statistical probabilities at room temperature. (arxiv.org)
  • In contrast, no hydrogen-bonded co-conformation was found in dimethyl sulfoxide, which appears to be due to the preferential formation of hydrogen bonds between the wheel NH groups with solvent molecules. (irbbarcelona.org)
  • The molecular dimensions of the two molecules are very similar. (ias.ac.in)
  • All the three molecules exhibit extended conformation. (ias.ac.in)
  • N is the population of molecules in a particular conformation . (factbites.com)
  • In distinction to Extended Hückel Theory which predicts as the most stable conformation of free zwitterionic GABA a totally extended form, PCILO and SCF ab initio studies show that the intrinsically preferred conformation of the isolated molecule is a highly folded one, resulting from strong interactions between the two charged ends. (springer.com)
  • Ab initio studies have been carried out on glycyl-L-alanine zwitterion using the basis sets 6-31 + g(d), 6-31++g(d,p) and 6-311g(d,p) to obtain its stable molecular conformation both in the gas phase and in solvent media of dielectric constants \varepsilon = 2.2 and 78.0 corresponding to carbon tetrachloride and water, respectively. (iisc.ac.in)
  • In addition, there's no guarantee that the crystallographically observed conformation is representative of the bioactive conformation rather than an artefact from the crystal growing process or due to crystal packing forces. (cresset-group.com)
  • Organic Crystal Engineering provides reviews of topics in organic crystal engineering that will be of interest to all researchers in molecular solid-state chemistry. (wiley.com)
  • 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. (escholarship.org)
  • The interaction of a dielectric medium has only a marginal effect on the molecular conformation and vibrational spectra. (iisc.ac.in)
  • ESEEM of spin labels to study intermolecular interactions, molecular assembly and conformation. (mpg.de)
  • The molecular packing is stabilized by intermolecular hydrogen bonds and van der Waals interactions. (ias.ac.in)
  • Moreover, a wash-resistant binding of the unique agonist xanomeline associated with interactions with membrane lipids was formed during accelerated MD. Thus, accelerated MD is suitable for modeling of ligand-specific receptor binding and receptor conformations that is essential for the design of experiments aimed at identification of the secondary binding sites and understanding molecular mechanisms underlying receptor activation. (elsevier.com)
  • The title compound has been studied by molecular mechanics calculations. (tropmedres.ac)
  • In the correct context, molecular dynamics calculations can provide valuable information for project development, saving time and money. (cresset-group.com)
  • Currently a significant use for molecular dynamics is in the field of Free Energy Perturbation calculations (FEP). (cresset-group.com)
  • It has been shown by the methods of IR spectroscopy and molecular mechanics that dimethyl (hydroxymethyl) phosphine oxide exists in dilute solutions in CC1 4 , in the form of an equilibrium mixture of conformera. (springer.com)
  • The primary effect of the solvent is the appearance of a barrier on the order k B T, not present in the ideal gas, between the free energy basins corresponding to compact and extended chain conformations, and destabilization of the most extended conformations. (princeton.edu)
  • Ye, Q, Woo, MW & Selomulya, C 2019, ' Modification of molecular conformation of spray-dried whey protein microparticles improving digestibility and release characteristics ', Food Chemistry , vol. 280, pp. 255-261. (monash.edu)
  • Ferguson, AL , Debenedetti, PG & Panagiotopoulos, AZ 2009, ' Solubility and molecular conformations of n-Alkane chains in water ', Journal of Physical Chemistry B , vol. 113, no. 18, pp. 6405-6414. (princeton.edu)
  • The chemical symbols example "Design elements - Conformations" was created using the ConceptDraw PRO software extended with the Chemistry solution from the Science and Education area of ConceptDraw Solution Park. (conceptdraw.com)
  • A novel approach to the calculation of conformation: Distance geometry. (springer.com)
  • The sampling properties of some distance geometry algorithms applied to unconstrained polypeptide chains: a study of 1830 independently computed conformations. (springer.com)
  • This chapter introduces two basic examples of direct electrical control of biomolecular conformation, namely, voltage-gated ion channels in excised, surface immobilized, biological membranes, and antibodies of the IgG type, immobilized on an electrode surface. (oreilly.com)
  • Enabling Large-Scale Biomolecular Conformation Search with Replica Exchange Statistical Temperature Molecular Dynamics (RESTMD) over HPC and Cloud Computing Resources We present the latest development and experimental simulation studies of Statistical Temperature Molecular Dynamics (STMD) and its parallel tempering version, Replica Exchange Statistical Temperature Molecular Dynamics (RESTMD). (collegestudentproject.com)
  • Zhu L, Cheng X, Su W, Zhao J, Zhou C. Molecular Insights into Sequence Distributions and Conformation-Dependent Properties of High-Phenyl Polysiloxanes. (mdpi.com)
  • Role of DNA conformation & energetic insights in Msx-1-DNA recognition as revealed by molecular dynamics studies on specific and nonspecific complexes. (osdd.net)
  • These results provide insights into both the molecular mechanisms that govern biofilm formation in Crenarchaea and the functionality of the Lrs14-like proteins, an archaea-specific class of transcriptional regulators. (scoop.it)
  • DESIGN: The molecular nature of a part of the rpoB gene in 77 M. tuberculosis clinical strains isolated in Korea was analyzed using polymerase chain reactionsingle strand conformation polymorphism (PCR-SSCP) and PCR-sequence analysis. (elsevier.com)
  • Kim, J. D. / Molecular analysis of rifampin-resistant Mycobacterium tuberculosis isolated from Korea by polymerase chain reaction-single strand conformation polymorphism sequence analysis . (elsevier.com)
  • Measurements of the polymer mass uptake as a function of time allowed the calculation of diffusion coefficients as 1.66?10?9 cm2?s and 3.08?10?12 cm2?s for the low and high molecular weight strands, respectively. (tcd.ie)
  • Molecular conformation is any spatial arrangement of the atoms in a molecule which can be interconverted by rotations about formally single bonds. (nature.com)
  • It is necessary to study the spatial relationship of these molecular recognition features in order to determine the pharmacophore of the drug. (njit.edu)
  • In both cases, the action of an applied electric field results in the modulation of protein conformation mediated by the response of positively charged amino acids (lysine, arginine) moving in response to an electric field. (oreilly.com)
  • Like all molecular mechanics methods, the quality of the simulation depends on many factors, but two key determining factors are the quality of the force field used and the quality of the starting system, therefore, correct preparation the protein system is critical. (cresset-group.com)
  • 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. (escholarship.org)
  • Both circular dichroism and molecular mechanics/energy minimization studies reveal that each of the four peptides has various degrees of random coil and polyproline type II molecular conformations in solution. (nyu.edu)
  • 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)
  • Molecular dynamics can be useful for assessing the energetic stability of proteins and identifying available conformations and, therefore, analyzing available binding pockets. (cresset-group.com)
  • This study shows that wild-type proteins do not always sample the conformations available to disease-relevant mutant proteins and that comprehensive drug testing of patient-derived cells can identify unpredictable, clinically significant drug-repositioning opportunities. (nih.gov)
  • Zoonosis outbreaks, such as the H7N9 outbreak, underscore the need to better understand the molecular organization of viral immunogens, such as recombinant influenza virus hemagglutinin (HA) proteins, used in influenza virus subunit vaccines in order to optimize vaccine efficacy. (pubmedcentralcanada.ca)
  • Antagonists stabilized the receptor in an inactive conformation during accelerated MD. The receptor in complex with various agonists attained different conformations specific to individual agonists. (elsevier.com)
  • The sidechain of the Val 2 residue shows two different conformations. (ias.ac.in)
  • Our findings reveal molecular-scale principles to help the development of wet-resistant adhesives. (ntu.edu.sg)
  • Findings indicate "that a knowledge of conformation is essential for an understanding of the chemical personality of nicotine and its analogues. (factbites.com)
  • Molecular and quantum pharmacology, Proceedings of the 7th Jerusalem Symposium. (springer.com)
  • Thank you for sharing this Molecular Pharmacology article. (aspetjournals.org)
  • Message Body (Your Name) thought you would be interested in this article in Molecular Pharmacology. (aspetjournals.org)
  • The bicyclo[3.3.1]nonane system adopts a boat-chair conformation. (eurekamag.com)
  • Bond Properties and Molecular Conformation from Vibrational Intensity Analysis', Croatica Chemica Acta , 61(3), str. (srce.hr)
  • Galabov B, Dudev T, Durig JR. Bond Properties and Molecular Conformation from Vibrational Intensity Analysis. (srce.hr)
  • B. Galabov, T. Dudev i J.R. Durig, "Bond Properties and Molecular Conformation from Vibrational Intensity Analysis", Croatica Chemica Acta , vol.61, br. (srce.hr)
  • Other torsion angles such as θ 2 1 = 86(1)°, χ 2 = −5(2)°, = 131(1)°, and χ 12 = −16(2)° are interesting to define the backbone conformation together with the dehydro-Leu side chain as a conformation similar to that of the β-bend type II. (ias.ac.in)
  • Compounds (II) and (III) are isostructural [dihedral angle between the aromatic rings = 8.31 (5)° in (II) and 5.34 (15)° in (III)] and differ from (I) in showing a near-syn conformation for the Nm-C-C=N linker [torsion angles for (II) and (III) = 17.64 (18) and 8.7 (5)°, respectively], which allows for the occurrence of a short intra-molecular C-H...N contact. (elsevier.com)
  • In silico molecular docking investigations were carried out in order to assess the means of interaction at a molecular level between SOD and the considered ligands. (rsc.org)
  • The availability of cloud computing has opened the ability to run this type of large-scale molecular dynamics calculation to a larger market, but the time and resource required to fully analyze the calculation is still extensive. (cresset-group.com)
  • 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 Boc group adopts a trans-cis conformation. (ias.ac.in)
  • The side chain of the Pro residue of molecule A is in the flattened C γ-endo conformation while the pyrrolidine ring in miolecule B adopts the well-known C γ -exo conformation. (ias.ac.in)
  • This was carried out for both low (10k g?mol) and very high (1.3M g?mol) molecular weight polymers. (tcd.ie)
  • We have previously shown that the conformation of nascent polypeptide chains in transit through the ribosome-translocon complex can be probed by measuring the number of residues required to span the distance between the ribosomal P-site and the lumenally disposed active site of the oligosaccharyl transferase enzyme (J. Biol. (biomedcentral.com)
  • The sequence dependence of local conformation of DNA enables Q50/Q50K to make hydrogen bond with nucleotide(s) of DNA. (osdd.net)
  • In this work, the sequence distribution and microstructure of random copolymers were quantitatively investigated by means of a molecular dynamics (MD) simulation combined with experimental verification. (mdpi.com)
  • In the title compound, C(26)H(32)N(2), the cyclo-hexane and piperazine rings each adopt a chair conformation.Both phenyl rings and the two propen-3-yl residues are in equatorial positions.The absolute configuration was assigned with reference to the starting material. (nih.gov)
  • This means that while the low weight polymer retains its randomly coiled conformation during diffusion and adsorption, the 1.3M g?mol molecule is forced to adopt an extended, high entropy state. (tcd.ie)
  • We found that AuBP1 retained its molecular conformation in both the c- and l-forms, and this is reflected in having similar adsorption behavior. (nyu.edu)
  • Taking into account the molecular weights, comparison of these coefficients suggests that each polymer type undergoes a different mode of diffusion: normal diffusion for the 10k g?mol polymer, but reptation for the 1.3M g?mol polymer. (tcd.ie)
  • Challenges arise from the limited model capacity for capturing complex distributions of conformations and the difficulty in modeling long-range dependencies between atoms. (iclr.cc)
  • Proton magnetic resonance and molecular modeling studies of conformations of the hormone and its Ca2+ complex. (mcmaster.ca)
  • Enzymatic activities were historically assayed in dilute solutions where molecular crowding, molecular confinement and their consequences were not taken into account. (conicet.gov.ar)
  • Interestingly, even though Boc-Phe-Val-OMe and Ac-ΔPhe-Val-OH are conformation ally different, they exhibit similar packing patterns in the solid state. (ias.ac.in)
  • The relationships between molecular conformation and packing are analysed in some detail. (springer.com)
  • Biopolymers, such as polynucleotides, polypeptides or polysaccharides, may change conformation in response to changes in their environment. (nature.com)
  • The results demonstrate the importance of integrin extension in rolling, and suggest that rolling and firm adhesion are mediated by extended conformations of alpha(L)beta(2) that differ in the affinity of the alpha(L) I domain for ICAM-1. (nih.gov)
  • Chemical shifts of amino acid carbons in the solid state in a beta-sheet conformation differ by as much as 8 ppm from those in an alpha-helix (Saito, 1986). (factbites.com)
  • Molecular Conformation" is a descriptor in the National Library of Medicine's controlled vocabulary thesaurus, MeSH (Medical Subject Headings) . (wakehealth.edu)
  • Serotonin Receptor (5HT1A) Conformation_Specific pAb polyclonal antibodies polyclonal antobodies can be directed against a recombinant proteine, the natural protein or an epitope. (antibody-antibodies.com)
  • XVA143 appears to induce the extended conformation of integrins as shown by increased activation epitope exposure. (nih.gov)
  • Chem 271: 6241-6244).Using this approach, we now show that model segments composed of residues with strong helix-forming properties in water (Ala, Leu) have a more compact conformation in the ribosome-translocon channel than model segments composed of residues with weak helix-forming potential (Val, Pro). (biomedcentral.com)
  • L 17 V, A 17 V, V 18 , P 18 ) in locations that are either within the ribosome or the translocon in the truncated nascent chain we find that d P-O values tend to fall near either 65 or 70 residues, and we equate these two values with extended and helical conformations of the model stretches, respectively. (biomedcentral.com)
  • These chemical shifts predominately reflect the local conformations of the peptides and are largely independent of the identity of neighboring residues. (factbites.com)
  • Multinuclear n.m.r. spectroscopy has been used to confirm the identify of inositol 1,4,5-trisphosphate and to deduce its molecular conformation as having five equatorial and one axial ring substituents. (biochemj.org)
  • Molecular representations in machine learning are typically based on either one single 3D conformer or on a 2D graph that strips geometrical information. (arxiv.org)
  • This graph shows the total number of publications written about "Molecular Conformation" by people in this website by year, and whether "Molecular Conformation" was a major or minor topic of these publications. (wakehealth.edu)
  • However, the environmental cues and the molecular mechanisms driving archaeal biofilm development are not characterized. (scoop.it)
  • They predict the coexistence in solution of a large number of conformations showing different degrees of folding (or extension), a result confirmed by recent NMR studies. (springer.com)
  • The NMR studies in DMSO show that the peptides exist in solution as a mixture of conformations. (bvsalud.org)
  • N.m.r. and molecular-modelling studies of the solution conformation of heparin. (semanticscholar.org)