Evidence on the conformation of HeLa-cell 5.8S ribosomal ribonucleic acid from the reaction of specific cytidine residues with sodium bisulphite. (1/64258)
The reaction of HeLa-cell 5.8S rRNA with NaHSO3 under conditions in which exposed cytidine residues are deaminated to uridine was studied. It was possible to estimate the reactivities of most of the 46 cytidine residues in the nucleotide sequence by comparing 'fingerprints' of the bisulphite-treated RNA with those of untreated RNA. The findings were consistent with the main features of the secondary-structure model for mammalian 5.85S rRNA proposed by Nazar, Sitz, & Busch [J. Biol. Chem (1975) 250, 8591--8597]. Five out of six regions that are depicted in the model as single-stranded loops contain cytidine residues that are reactive towards bisulphite at 25 degrees C (the other loop contains no cytidine). The cytidine residue nearest to the 3'-terminus is also reactive. Several cytidines residues that are internally located within proposed double-helical regions show little or no reactivity towards bisulphite, but the cytidine residues of several C.G pairs at the ends of helical regions show some reactivity, and one of the proposed loops appears to contain six nucleotides, rather than the minimum of four suggested by the primary structure. Two cytidine residues that are thought to be 'looped out' by small helix imperfections also show some reactivity. (+info)Endocytosis: EH domains lend a hand. (2/64258)
A number of proteins that have been implicated in endocytosis feature a conserved protein-interaction module known as an EH domain. The three-dimensional structure of an EH domain has recently been solved, and is likely to presage significant advances in understanding molecular mechanisms of endocytosis. (+info)Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D. (3/64258)
The crystal structure of profactor D, determined at 2.1 A resolution with an Rfree and an R-factor of 25.1 and 20.4%, respectively, displays highly flexible or disordered conformation for five regions: N-22, 71-76, 143-152, 187-193 and 215-223. A comparison with the structure of its mature serine protease, complement factor D, revealed major conformational changes in the similar regions. Comparisons with the zymogen-active enzyme pairs of chymotrypsinogen, trypsinogen and prethrombin-2 showed a similar distribution of the flexible regions. However, profactor D is the most flexible of the four, and its mature enzyme displays inactive, self-inhibited active site conformation. Examination of the surface properties of the N-terminus-binding pocket indicates that Ile16 may play the initial positioning role for the N-terminus, and Leu17 probably also helps in inducing the required conformational changes. This process, perhaps shared by most chymotrypsinogen-like zymogens, is followed by a factor D-unique step, the re-orientation of an external Arg218 to an internal position for salt-bridging with Asp189, leading to the generation of the self-inhibited factor D. (+info)Cryo-electron microscopy structure of an SH3 amyloid fibril and model of the molecular packing. (4/64258)
Amyloid fibrils are assemblies of misfolded proteins and are associated with pathological conditions such as Alzheimer's disease and the spongiform encephalopathies. In the amyloid diseases, a diverse group of normally soluble proteins self-assemble to form insoluble fibrils. X-ray fibre diffraction studies have shown that the protofilament cores of fibrils formed from the various proteins all contain a cross-beta-scaffold, with beta-strands perpendicular and beta-sheets parallel to the fibre axis. We have determined the threedimensional structure of an amyloid fibril, formed by the SH3 domain of phosphatidylinositol-3'-kinase, using cryo-electron microscopy and image processing at 25 A resolution. The structure is a double helix of two protofilament pairs wound around a hollow core, with a helical crossover repeat of approximately 600 A and an axial subunit repeat of approximately 27 A. The native SH3 domain is too compact to fit into the fibril density, and must unfold to adopt a longer, thinner shape in the amyloid form. The 20x40-A protofilaments can only accommodate one pair of flat beta-sheets stacked against each other, with very little inter-strand twist. We propose a model for the polypeptide packing as a basis for understanding the structure of amyloid fibrils in general. (+info)Structural basis for the specificity of the initiation of HIV-1 reverse transcription. (5/64258)
Initiation of human immunodeficiency virus type 1 (HIV-1) reverse transcription requires specific recognition of the viral genome, tRNA3Lys, which acts as primer, and reverse transcriptase (RT). The specificity of this ternary complex is mediated by intricate interactions between HIV-1 RNA and tRNA3Lys, but remains poorly understood at the three-dimensional level. We used chemical probing to gain insight into the three-dimensional structure of the viral RNA-tRNA3Lys complex, and enzymatic footprinting to delineate regions interacting with RT. These and previous experimental data were used to derive a three-dimensional model of the initiation complex. The viral RNA and tRNA3Lys form a compact structure in which the two RNAs fold into distinct structural domains. The extended interactions between these molecules are not directly recognized by RT. Rather, they favor RT binding by preventing steric clashes between the nucleic acids and the polymerase and inducing a viral RNA-tRNA3Lys conformation which fits perfectly into the nucleic acid binding cleft of RT. Recognition of the 3' end of tRNA3Lys and of the first template nucleotides by RT is favored by a kink in the template strand promoted by the short junctions present in the previously established secondary structure. (+info)The highly conserved beta-hairpin of the paired DNA-binding domain is required for assembly of Pax-Ets ternary complexes. (6/64258)
Pax family transcription factors bind DNA through the paired domain. This domain, which is comprised of two helix-turn-helix motifs and a beta-hairpin structure, is a target of mutations in congenital disorders of mice and humans. Previously, we showed that Pax-5 (B-cell-specific activator protein) recruits proteins of the Ets proto-oncogene family to bind a composite DNA site that is essential for efficient transcription of the early-B-cell-specific mb-1 promoter. Here, evidence is provided for specific interactions between Ets-1 and the amino-terminal subdomains of Pax proteins. By tethering deletion fragments of Pax-5 to a heterologous DNA-binding domain, we show that 73 amino acids (amino acids 12 to 84) of its amino-terminal subdomain can recruit the ETS domain of Ets-1 to bind the composite site. Furthermore, an amino acid (Gln22) within the highly conserved beta-hairpin motif of Pax-5 is essential for efficient recruitment of Ets-1. The ability to recruit Ets proteins to bind DNA is a shared property of Pax proteins, as demonstrated by cooperative DNA binding of Ets-1 with sequences derived from the paired domains of Pax-2 and Pax-3. The strict conservation of sequences required for recruitment of Ets proteins suggests that Pax-Ets interactions are important for regulating transcription in diverse tissues during cellular differentiation. (+info)Identification of DNA polymorphisms associated with the V type alpha1-antitrypsin gene. (7/64258)
alpha1-Antitrypsin (alpha1-AT) is a highly polymorphic protein. The V allele of alpha1-AT has been shown to be associated with focal glomerulosclerosis (FGS) in Negroid and mixed race South African patients. To identify mutations and polymorphisms in the gene for the V allele of alpha1-AT in five South African patients with FGS nephrotic syndrome DNA sequence analysis and restriction fragment length polymorphisms of the coding exons were carried out. Four of the patients were heterozygous for the BstEII RFLP in exon III [M1(Val213)(Ala213)] and one patient was a M1(Ala213) homozygote. The mutation for the V allele was identified in exon II as Gly-148 (GGG)-->Arg (AGG) and in all patients was associated with a silent mutation at position 158 (AAC-->AAT). The patient who was homozygous for (Ala213) also had a silent mutation at position 256 in exon III (GAT-->GAC) which was not present in any of the other four patients. Although the V allele of alpha1-AT is not associated with severe plasma deficiency, it may be in linkage disequilibrium with other genes on chromosome 14 that predispose to FGS. Furthermore, the associated silent mutation at position 158 and the Ala213 polymorphism are of interest, as these could represent an evolutionary intermediate between the M1(Ala213) and M1(Val213) subtypes. (+info)Crystal structures of two H-2Db/glycopeptide complexes suggest a molecular basis for CTL cross-reactivity. (8/64258)
Two synthetic O-GlcNAc-bearing peptides that elicit H-2Db-restricted glycopeptide-specific cytotoxic T cells (CTL) have been shown to display nonreciprocal patterns of cross-reactivity. Here, we present the crystal structures of the H-2Db glycopeptide complexes to 2.85 A resolution or better. In both cases, the glycan is solvent exposed and available for direct recognition by the T cell receptor (TCR). We have modeled the complex formed between the MHC-glycopeptide complexes and their respective TCRs, showing that a single saccharide residue can be accommodated in the standard TCR-MHC geometry. The models also reveal a possible molecular basis for the observed cross-reactivity patterns of the CTL clones, which appear to be influenced by the length of the CDR3 loop and the nature of the immunizing ligand. (+info)
1812.00995] Computational Chemistry as Voodoo Quantum Mechanics : Models,
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Evolutionary potentials: structure specific knowledge-based potentials exploiting the evolutionary record of sequence homologs ...
Molecular models of DNA
Molecular modeling of RNA polymerase. Molecular modeling of a bacterial DNA primase template. Molecular modeling of DNA ... Molecular modeling of DNA repair Animated skeletal model of A-DNA. Simplified models of chromatin. Simplified model of ... The DNA model shown (far right) is a space-filling, or CPK, model of the DNA double helix. Animated molecular models, such as ... DNA spacefilling molecular model A model of a designed DNA tetrahedron. 15 m long DNA model, Naturalis Biodiversity Center ...
Molecular model
Molecular design software Molecular graphics Molecular modelling Ribbon diagram Software for molecular mechanics modeling Space ... The creation of mathematical models of molecular properties and behavior is referred to as molecular modeling, and their ... "Molecular Models - Tangible Representations of the Abstract". PDB Newsletter. 41: 4-5. [1] history of molecular models Paper ... A molecular model is a physical model of an atomistic system that represents molecules and their processes. They play an ...
Molecular modelling
... nanostructures modeling Molecular design software Molecular engineering Molecular graphics Molecular model Molecular modeling ... Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. ... The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include ... Molecular mechanics is one aspect of molecular modelling, as it involves the use of classical mechanics (Newtonian mechanics) ...
Molecular Modeling Database
The Molecular Modeling Database (MMDB) is a database of experimentally determined three-dimensional biomolecular structures and ...
Molecular Modelling Toolkit
... which performs common tasks in molecular modelling. The Molecular Modeling Toolkit is a library that implements common ... Konrad Hinsen, The Molecular Modeling Toolkit: A New Approach to Molecular Simulations, As of 28 April 2011[update], MMTK ... "The Molecular Modeling Toolkit: A New Approach to Molecular Simulations". J. Comput. Chem. 21 (2): 79-85. doi:10.1002/(SICI) ... Molecular modelling software, Molecular dynamics software, Python (programming language) software, All stub articles, ...
Molecular modeling on GPUs
Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, NVIDIA ... Quantum chemistry calculations and molecular mechanics simulations (molecular modeling in terms of classical mechanics) are ... Molecular modelling, Computational chemistry, Molecular dynamics, Chemistry software, GPGPU). ... 2008). "GPU acceleration of cutoff pair potentials for molecular modeling applications". In CF'08: Proceedings of the 2008 ...
Monte Carlo molecular modeling
... physics List of software for Monte Carlo molecular modeling Software for molecular mechanics modeling Bond fluctuation model ... Monte Carlo molecular modelling is the application of Monte Carlo methods to molecular problems. These problems can also be ... Molecular modelling, Theoretical chemistry, Monte Carlo methods, Stochastic models). ... modelled by the molecular dynamics method. The difference is that this approach relies on equilibrium statistical mechanics ...
Comparison of software for molecular mechanics modeling
... molecular modeling List of software for nanostructures modeling Molecular design software Molecular dynamics Molecular modeling ... Molecular dynamics software, Molecular modelling software, Science software). ... Resources Short list of Molecular Modeling resources OpenScience Biological Magnetic Resonance Data Bank Materials modelling ... This is a list of computer programs that are predominantly used for molecular mechanics calculations. GPU - GPU accelerated I ...
List of software for Monte Carlo molecular modeling
Molecular modelling software, Monte Carlo molecular modelling software). ... This is a list of computer programs that use Monte Carlo methods for molecular modeling. Abalone classical Hybrid MC BOSS ... software Comparison of software for molecular mechanics modeling Comparison of nucleic acid simulation software Molecular ... Towhee) (16 September 2013). "MCCCS Towhee: a tool for Monte Carlo molecular simulation". Molecular Simulation. 39 (14-15): ...
Gaussian network model
Springs are cross-linked to represent mechanical behavior of the material and bridge molecular dynamics (MD) model and finite ... The Gaussian network model is a minimalist, coarse-grained approach to study biological molecules. In the model, proteins are ... Another model for protein dynamics based on elastic mass-and-spring networks is the Anisotropic Network Model. The Gaussian ... The model uses the harmonic approximation to model interactions. This coarse-grained representation makes the calculations ...
Open Knowledgebase of Interatomic Models
Molecular Physics. 118 (9-10). van der Giessen, Erik (March 2020). "Roadmap on multiscale materials modeling". Modelling and ... OpenKIM has been directly integrated into various prominent molecular modelling and potential fitting software including LAMMPS ... A key aspect of OpenKIM is that in addition to model parameters, it also stores the complete source code of "portable models" ... ASE, DL_POLY, GULP, and potfit, and is recognized in the molecular modelling community as being a critical step towards ...
Solvent model
... in contrast to continuum models. These models generally occur in the application of molecular mechanics (MM) and dynamics (MD) ... These models can make useful contributions when the solvent being modelled can be modelled by a single function i.e. it is not ... Solvation Models (SMx) and the Solvation Model based on Density (SMD) have also seen wide spread use. SMx models (where x is an ... The Polarizable continuum model (PCM) is a commonly used implicit model and has seeded the birth of several variants. The model ...
Coarse-grained modeling
Coarse-grained models are widely used for molecular modeling of biomolecules at various granularity levels. A wide range of ... Hadley KR, McCabe C (July 2012). "Coarse-Grained Molecular Models of Water: A Review". Molecular Simulation. 38 (8-9): 671-681 ... Coarse-grained models have found practical applications in molecular dynamics simulations. Another case of interest is the ... An example is given by the chemomechanical dynamics of a molecular machine, such as Kinesin. The coarse-grained modeling ...
Animal models of Parkinson's disease
"Revisiting the Paraquat-Induced Sporadic Parkinson's Disease-Like Model". Molecular Neurobiology. 56 (2): 1044-1055. doi: ... Parkinson's disease animal models are divided into two categories: neurotoxin models and genetic models. Neurotoxin models ... The pre-formed fibril model was developed as a way to study the propagation of α-synuclein. This model consists of injecting ... A limitation to the pre-formed fibril model is that although it is a widely used model, it lacks overt neurodegeneration. The ...
Stepwise mutation model
Molecular markers provide only a "sample" of the genetic information in which to compare individuals of populations, and can ... The SMM is distinguished from the Kimura-Crow model, also known as the infinite alleles model (IAM), in that as the population ... The original model assumes that if an allele has a mutation that causes it to change in state, mutations that occur in ... The SMM model takes into account the frequency of mismatches between microsatellite loci, meaning the number of times there are ...
Experimental models of Alzheimer's disease
Methods in Molecular Biology. Vol. 1727. New York, NY: Springer. pp. 343-352. doi:10.1007/978-1-4939-7571-6_25. ISBN 978-1-4939 ... Experimental models of Alzheimer's disease are cellular or animal models of Alzheimer's disease. There is a distinction between ... Lecanu L, Papadopoulos V (2013-05-01). "Modeling Alzheimer's disease with non-transgenic rat models". Alzheimer's Research & ... Serneels L, T'Syen D, Perez-Benito L, Theys T, Holt MG, De Strooper B (October 2020). "Modeling the β-secretase cleavage site ...
Carbohydrate-insulin model
Molecular Metabolism. 32: 27-43. doi:10.1016/j.molmet.2019.11.010. ISSN 2212-8778. PMC 6938849. PMID 32029228. Hall, K. D. ( ... Taubes, Gary (2022). "The energy balance model compared with the carbohydrate-insulin model". The American Journal of Clinical ... The carbohydrate-insulin model (CIM) posits that obesity is caused by excess consumption of carbohydrate, which then disrupts ... It is contrasted with the mainstream energy balance model (EBM), which holds that obesity is caused by a excess in calorie ...
Multi-state modeling of biomolecules
This means that even a model that can account for a vast number of molecular species and reactions is not necessarily ... SRSim is integrated in the LAMMPS molecular dynamics simulator and allows the user to specify the model in BNGL. SRSim allows ... Monod J, Wyman J, Changeux JP (May 1965). "On the nature of allosteric transitions: A plausible model". Journal of Molecular ... Yang J, Meng X, Hlavacek WS (November 2010). "Rule-based modelling and simulation of biochemical systems with molecular finite ...
Mouse models of breast cancer metastasis
This means models can be generated based upon molecular lesions consistent with the human disease. Metastasis is a process of ... Mice may not be an ideal model for breast cancer. This is mainly due to the lack of precision in many of the models. When ... 2003). Models of Breast Cancer: quo vadis, animal modeling? Breast Cancer Research 6(31), 31-38.doi: 10.1186/bcr723 Pulaski BA ... For a list of other mammary gland specific promoters and mouse models see. MMTV-PyMT is the model of breast cancer metastasis, ...
Animal model of autism
Moy, S (2008). "Advances in behavioral genetics: mouse models of autism". Molecular Psychiatry. 13 (1): 4-26. doi:10.1038/sj.mp ... Klauck, S. M.; Poustka, A. (2006). "Animal models of autism". Drug Discovery Today: Disease Models. 3 (4): 313-318. doi:10.1016 ... Bourgeron, T.; Jamain, S. P.; Granon, S. (2006). "Animal Models of Autism". Transgenic and Knockout Models of Neuropsychiatric ... researchers often focus only on single features of autism when using animal models. One of the more common rodent models is the ...
List of model organisms
Agronomy, Molecular biology) Populus, genus used as a model in forest genetics and woody plant studies. It has a small genome ... Lotus japonicus, model legume used to study the symbiosis responsible for nitrogen fixation. (Agronomy, Molecular biology) ... Genetics, Molecular biology, Agronomy) Medicago truncatula, model legume, closely related to the common alfalfa. Its rather ... Agronomy, Molecular biology) Mimulus guttatus, model organism used in evolutionary and functional genomes studies. The genus ...
Bohr model
Svidzinsky, Anatoly A.; Scully, Marlan O.; Herschbach, Dudley R. (23 August 2005). "Bohr's 1913 molecular model revisited". ... The Bohr model is a relatively primitive model of the hydrogen atom, compared to the valence shell atom model. As a theory, it ... It came after the solar system Joseph Larmor model (1897), the solar system Jean Perrin model (1901), the cubical model (1902 ... Niels Bohr proposed a model of the atom and a model of the chemical bond. According to his model for a diatomic molecule, the ...
Traumatic brain injury modeling
Li Q, Han X, Wang J (August 2016). "Organotypic Hippocampal Slices as Models for Stroke and Traumatic Brain Injury". Molecular ... in vitro models are the most versatile method, because they facilitate analyzing any aspect of TBI, as long as a model is ... This basic model, however, would give such an estimate so rough that it would most likely prove useless unless it modeled a ... Instead, a mathematical model or method for analysis is chosen and then solved with given information. A basic model is a ...
Water model
... implementations Molecular mechanics Molecular modelling Comparison of software for molecular mechanics modeling Solvent models ... The SPC model is rigid, whilst the flexible SPC model is flexible. In the model of Toukan and Rahman, the O-H stretching is ... The SPC/E model results in a better density and diffusion constant than the SPC model. The TIP3P model implemented in the ... The first model to use this approach was the Bernal-Fowler model published in 1933, which may also be the earliest water model ...
Austin Model 1
"Development and use of quantum mechanical molecular models. 76. AM1: A new general purpose quantum mechanical molecular model ... Austin Model 1, or AM1, is a semi-empirical method for the quantum calculation of molecular electronic structure in ... Leach, Andrew R. (2001). Molecular Modelling. Pearson Education Limited. ISBN 0-582-38210-6. v t e (Semiempirical quantum ... the first of a new series of general purpose quantum mechanical molecular models". Tetrahedron. 49 (23): 5003. doi:10.1016/ ...
Model lipid bilayer
Thus, they are used as mimicries of cell membranes for in vitro studies in molecular and cell biology. Many of the studies of ... A model bilayer can be made with either synthetic or natural lipids. The simplest model systems contain only a single pure ... A model lipid bilayer is any bilayer assembled in vitro, as opposed to the bilayer of natural cell membranes or covering ... More physiologically relevant model bilayers can be made with mixtures of several synthetic or natural lipids. There are many ...
Quasispecies model
The mutation rate and the general fitness of the molecular sequences and their neighbors is crucial to the formation of a ... Quasispecies models have also been proposed by Jose Fontanari and Emmanuel David Tannenbaum to model the evolution of sexual ... A simple mathematical model for a quasispecies is as follows: let there be S {\displaystyle S} possible sequences and let there ... The quasispecies model was put forward by Manfred Eigen and Peter Schuster based on initial work done by Eigen. When ...
History of molecular theory
German chemist August Wilhelm von Hofmann was the first to make stick-and-ball molecular models, which he used in lecture at ... which clearly show both semi-correct molecular geometries, such as a linear water molecule, and correct molecular formulas, ... corresponds to the relationship between respective molecular weights. Hence, relative molecular masses could now be calculated ... In chemistry, the history of molecular theory traces the origins of the concept or idea of the existence of strong chemical ...
ABC model of flower development
Ma, Hong (2005). "Molecular Genetic Analyses of Microsporogenesis and Microgametogenesis in Flowering Plants". Annual Review of ... The ABC model of flower development is a scientific model of the process by which flowering plants produce a pattern of gene ... proposed a modified ABC model in 1993. This model suggests that class B genes are not only expressed in verticils 2 and 3, but ... The latter phase has been modelled using the ABC model, which aims to describe the biological basis of the process from the ...
Embedded atom model
These models are particularly appropriate for metallic systems. Embedded-atom methods are widely used in molecular dynamics ... In the original model, by Murray Daw and Mike Baskes, the latter functions represent the electron density. The EAM is related ... In computational chemistry and computational physics, the embedded atom model, embedded-atom method or EAM, is an approximation ... doi:10.1016/0920-2307(93)90001-U. "Pair - EAM". LAMMPS Molecular Dynamics Simulator. Retrieved 2008-10-01. v t e (Chemical ...
Paul Mischel
Mischel and colleagues integrated whole genome sequencing, cytogenetics and structural modeling to accurately and globally ... Molecular Cell. 67 (1): 128-138.e7. doi:10.1016/j.molcel.2017.05.030. ISSN 1097-4164. PMC 5521991. PMID 28648777. Guo, Deliang ...
Locus Biosciences
Heler R, Samai P, Modell JW, Weiner C, Goldberg GW, Bikard D, Marraffini LA (March 2015). "Cas9 specifies functional viral ... Molecular Microbiology. 87 (5): 1088-99. doi:10.1111/mmi.12152. PMID 23320564. Sinkunas T, Gasiunas G, Fremaux C, Barrangou R, ... Molecular Biology. 21 (9): 771-7. doi:10.1038/nsmb.2875. PMC 4156918. PMID 25132177. Gasiunas G, Barrangou R, Horvath P, ...
Uridine monophosphate synthase
Suchi M, Mizuno H, Kawai Y, Tsuboi T, Sumi S, Okajima K, Hodgson ME, Ogawa H, Wada Y (Mar 1997). "Molecular cloning of the ... Deficiency of the enzyme can be studied in the model organism Caenorhabditis elegans. The rad-6 strain has a premature stop ... Suchi M, Harada N, Tsuboi T, Asai K, Okajima K, Wada Y, Takagi Y (1990). "Molecular cloning of human UMP synthase". Purine and ... Suttle DP, Bugg BY, Winkler JK, Kanalas JJ (Mar 1988). "Molecular cloning and nucleotide sequence for the complete coding ...
Phage display
Endemann H, Model P (July 1995). "Location of filamentous phage minor coat proteins in phage and in infected cells". J. Mol. ... Initial work was done by laboratories at the MRC Laboratory of Molecular Biology (Greg Winter and John McCafferty), the Scripps ... Phage display technology was further developed and improved by groups at the Laboratory of Molecular Biology with Greg Winter ... Journal of Molecular Biology. 254 (3): 392-403. doi:10.1006/jmbi.1995.0626. PMID 7490758. Barbas CF, Hu D, Dunlop N, Sawyer L, ...
Prostaglandin-endoperoxide synthase 2
PTGS2 (COX-2) exists as a homodimer, each monomer with a molecular mass of about 70 kDa. The tertiary and quaternary structures ... Lornoxicam not only normalized the expression of cyclooxygenases in both models of PVR, but also neutralized the changes of the ... Studies with human pharmacology and genetics, genetically manipulated rodents, and other animal models and randomized trials ... O'Banion MK (1999). "Cyclooxygenase-2: molecular biology, pharmacology, and neurobiology". Crit Rev Neurobiol. 13 (1): 45-82. ...
Picovirinae
Lavigne, R.; Seto, D.; Mahadevan, P.; Ackermann, H. W.; Kropinki, A. M. (2008). "Unifying classical and molecular taxonomic ... Replication follows the DNA strand displacement model. DNA-templated transcription is the method of transcription. Bacteria ...
Black yeast
In recent years, black fungi such as E. dermatitidis or Hortaea werneckii have attracted increasingly attention as model ... A molecular perspective at a glance". Studies in Mycology. 61: 67-75. doi:10.3114/sim.2008.61.06. PMC 2610308. PMID 19287528. ... Molecular and Cellular Mechanisms". PLOS ONE. 7 (11): e48674. Bibcode:2012PLoSO...748674R. doi:10.1371/journal.pone.0048674. ...
Mie scattering
Like Mie model, the extended model can be applied to spheres with a radius close to the wavelength of the incident light. There ... Mie scattering (sometimes referred to as a non-molecular scattering or aerosol particle scattering) takes place in the lower ... The Rayleigh scattering model breaks down when the particle size becomes larger than around 10% of the wavelength of the ... In the case of particles with dimensions greater than this, Mie's scattering model can be used to find the intensity of the ...
PANO1
Human PANO1 protein has a molecular weight of 22.8 kb and a theoretical, isoelectric point of 12.21. From an analysis of the ... A possible cleavage site was identified between amino acids 33 and 34 as depicted in the PANO1 protein model. As mentioned ...
Gamma-aminobutyric acid receptor subunit gamma-2
... alpha 1 beta 3 gamma 2 receptors determined by molecular modeling". Biochimica et Biophysica Acta (BBA) - Biomembranes. 1565 (1 ...
Proto-oncogene tyrosine-protein kinase Src
... interactive 3D model of the structure of SRC Vega geneview Src Info with links in the Cell Migration Gateway Archived 2014-12- ... Molecular and Cellular Biology. 10 (3): 1000-9. doi:10.1128/mcb.10.3.1000. PMC 360952. PMID 1689455. Zan L, Wu H, Jiang J, Zhao ... This discovery changed the current thinking about cancer from a model wherein cancer is caused by a foreign substance (a viral ... "Detection and enumeration of transformation-defective strains of avian sarcoma virus with molecular hybridization". Virology. ...
Baum-Welch algorithm
They have since become an important tool in the probabilistic modeling of genomic sequences. A hidden Markov model describes ... Burge, Chris; Karlin, Samuel (1997). "Prediction of Complete Gene Structures in Human Genomic DNA". Journal of Molecular ... Solving this model using Baum-Welch demonstrated the ability to predict the location of CNV breakpoint to approximately 300 bp ... The algorithm and the Hidden Markov models were first described in a series of articles by Baum and his peers at the IDA Center ...
Pilling-Bedworth ratio
... atomic or molecular mass n {\displaystyle n} - number of atoms of metal per molecule of the oxide ρ {\displaystyle \rho } - ... The P-B ratio is important when modelling the oxidation of nuclear fuel cladding tubes, which are typically made of Zirconium ...
Coronavirus nucleocapsid protein
Masters, Paul S. (2006). "The Molecular Biology of Coronaviruses". Advances in Virus Research. 66: 193-292. doi:10.1016/S0065- ... how we made the SARS-CoV-2 3D model] (in Russian). N+1. Archived from the original on 2021-07-30. Retrieved 30 July 2021. Chang ... Molecular Biology and Evolution. 39: msab292. doi:10.1093/molbev/msab292. ISSN 0737-4038. PMC 8549283. PMID 34638137. Cagliani ... "Inhibition of Beta Interferon Induction by Severe Acute Respiratory Syndrome Coronavirus Suggests a Two-Step Model for ...
Negrito
The People of the Bamboo - Age - A Socio-Ecological Model. Edition blurb, 2011. Zell, Reg, John M. Garvan. An Investigation: On ... February 2022). "Genetic Connections and Convergent Evolution of Tropical Indigenous Peoples in Asia". Molecular Biology and ...
Methylocella silvestris
Bordel, Sergio; Crombie, Andrew T.; Muñoz, Raúl; Murrell, J. Colin (2020-07-16). "Genome Scale Metabolic Model of the versatile ... November 2005). "Regulation of methane oxidation in the facultative methanotroph Methylocella silvestris BL2". Molecular ...
Caspase-activated DNase
Mukae N, Enari M, Sakahira H, Fukuda Y, Inazawa J, Toh H, Nagata S (August 1998). "Molecular cloning and characterization of ... "Solution structure of the CIDE-N domain of CIDE-B and a model for CIDE-N/CIDE-N interactions in the DNA fragmentation pathway ... May 2004). "Structural mechanism for inactivation and activation of CAD/DFF40 in the apoptotic pathway". Molecular Cell. 14 (4 ... 2007). "Large-scale mapping of human protein-protein interactions by mass spectrometry". Molecular Systems Biology. 3 (1): 89. ...
Myxobacteria
At a molecular level, initiation of fruiting body development in Myxococcus xanthus is regulated by Pxr sRNA. Myxobacteria such ... Sozinova O, Jiang Y, Kaiser D, Alber M (August 2005). "A three-dimensional model of myxobacterial aggregation by contact- ... They typically travel in swarms (also known as wolf packs), containing many cells kept together by intercellular molecular ... Myxobacteria are used to study the polysaccharide production in gram-negative bacteria like the model Myxococcus xanthus which ...
Prokaryotic DNA replication
Journal of Molecular Biology. 106 (4): 963-81. doi:10.1016/0022-2836(76)90346-6. PMID 789903. Drake JW (1970) The Molecular ... Although it is often studied in the model organism E. coli, other bacteria show many similarities. Replication is bi- ... Bussiere DE, Bastia D (March 1999). "Termination of DNA replication of bacterial and plasmid chromosomes". Molecular ... Journal of Molecular Biology. 31 (3): 519-540. doi:10.1016/0022-2836(68)90425-7. PMID 4866337. Leonard, Alan C.; Grimwade, ...
Shiladitya DasSarma
... (born November 11, 1957) is a molecular biologist well-known for contributions to the biology of halophilic ... "Extreme Halophiles Are Models for Astrobiology" (PDF). Microbe. 2006. "Extreme Microbes » American Scientist". www. ... Indian molecular biologists, Indiana University Bloomington alumni, Massachusetts Institute of Technology School of Science ... He is a researcher and teacher of molecular genetics, genomics, and bioinformatics and mentor of undergraduate, graduate and ...
Super 4 (2014 TV series)
They also felt it offered positive role models: "Friendship and a common goal unite the heroes despite their very different ... the doctor's legs and rejoin the two pieces before they are damaged because the slightest bobo will modify the body's molecular ...
Arsenic trifluoride
3H2O It has a pyramidal molecular structure in the gas phase which is also present in the solid. In the gas phase the As-F bond ... taking the middle ground in between both models. Pradyot Patnaik. Handbook of Inorganic Chemicals. McGraw-Hill, 2002, ISBN 0-07 ...
Spectral Sciences Incorporated
... chemistry and molecular dynamics, energy management, 3-D and spectral scene modeling, spectroscopy, UV through IR optical ...
CKLF-like MARVEL transmembrane domain-containing 5
Molecular Medicine Reports. 25 (1). doi:10.3892/mmr.2021.12533. PMC 8628290. PMID 34791506. Xiao Y, Yuan Y, Zhang Y, Li J, Liu ... over expression of CMTM5-v1 in Huh7 human hepatic cells also inhibited the ability of these cells to grow in a mouse model of ...
Halobacterium salinarum
H. salinarum is as easy to culture as E. coli and serves as an excellent model system. Methods for gene replacement and ... Graur, Dan; Pupko, Tal (2001-02-15). "The Permian Bacterium that Isn't". Molecular Biology and Evolution. Oxford Journals. 18 ( ... Journal of Molecular Biology. 6: 34-8. doi:10.1016/s0022-2836(63)80079-0. PMID 13964964. Peck, R. F.; Dassarma, S; Krebs, M. P ... Molecular Microbiology. 35 (3): 667-76. doi:10.1046/j.1365-2958.2000.01739.x. PMID 10672188. Brijesh Rajanandam, K S; Siva ...
Nigel Unwin
"Molecular structure determination by electron microscopy of unstained crystalline specimens" Journal of Molecular Biology 94: ... "Three-dimensional model of purple membrane obtained by electron microscopy" Nature 257:28-32 Unwin P N T, Henderson R (1975), " ... Peter Nigel Tripp Unwin FRS is a British scientist at the MRC Laboratory of Molecular Biology, where he was Head of the ... In 1988 he returned to the MRC Laboratory of Molecular Biology, taking also a joint appointment at the Scripps Research ...
Metabolism
Phair RD (December 1997). "Development of kinetic models in the nonlinear world of molecular cell biology". Metabolism. 46 (12 ... Cooper GM (2000). "The Molecular Composition of Cells". The Cell: A Molecular Approach (2nd ed.). Archived from the original on ... These models are now used in network analysis, to classify human diseases into groups that share common proteins or metabolites ... Many models have been proposed to describe the mechanisms by which novel metabolic pathways evolve. These include the ...
Genomic imprinting
These models of mapping and identifying imprinting effects include using unordered genotypes to build mapping models. These ... Methods in Molecular Biology. Vol. 2093. New York, NY: Springer US. pp. 173-201. doi:10.1007/978-1-0716-0179-2_13. ISBN 978-1- ... However, our understanding of the molecular mechanisms behind genomic imprinting show that it is the maternal genome that ... Statistical frameworks and mapping models are used to identify imprinting effects on genes and complex traits. Allelic parent- ...
Sex determination in Silene
Moore, R. C.; Harkess, A. E.; Weingartner, L. A. (2016-07-01). "How to be a seXY plant model: A holistic view of sex-chromosome ... "Patterns of molecular evolution in dioecious and non-dioecious Silene". Journal of Evolutionary Biology. 26 (2): 335-346. doi: ... Kejnovsky, Vyskot (2010). "Silene latifolia : The Classical Model to Study Heteromorphic Sex Chromosomes". Cytogenetic and ... "Silene as a model system in ecology and evolution". Heredity. 103 (1): 5-14. doi:10.1038/hdy.2009.34. ISSN 1365-2540. PMID ...
Endless Forms Most Beautiful (book)
Endless Forms Most Beautiful: The New Science of Evo Devo and the Making of the Animal Kingdom is a 2005 book by the molecular ... using the fruit fly Drosophila as the model organism. He has won the Shaw Scientist Award and the Stephen Jay Gould Prize for ... Sean B. Carroll is a professor of molecular biology and genetics at the University of Wisconsin-Madison. He studies the ... "LCMB Investigators". Laboratory of Cell and Molecular Biology at UW-Madison. Retrieved 14 September 2017. Wade, Nicholas (5 ...
Browsing by Subject "Models, Molecular"
Molecular Modeling | BSC-CNS
Molecular recognition is the basis of biological function. Docking is among a number of structural bioinformatics strategies ... As one of our main research lines, we model enzymatic activity addressing not only the atomic (and electronic) detailed ... of computational methodology for the structural and energetic characterization of protein interactions at molecular level. ... trying to understand molecular recognition, both to understand structure to function relationships in macromolecules, and to ...
Predictive models of molecular machines involved in Caenorhabditis elegans early embryogenesis | Nature
... models both of the molecular assemblies involved1 and of the functional connections between them. Here we show that such models ... have generated a string of models of molecular machines involved in driving early embryogenesis, and are able to propose ... We assessed the overall predictive value of such molecular machine models by dynamic localization of ten previously ... system-level models are still missing for most developmental processes. The first two cell divisions of Caenorhabditis elegans ...
Molecular Modeling Conferences in 2022/2023/2024
molecular modeling Conferences 2022/2023/2024 is for the researchers, scientists, scholars, engineers, academic, scientific and ... Molecular Modeling. Molecular Modeling Conferences. Molecular Modeling Conferences is an indexed listing of upcoming meetings, ... Molecular Modelling and Molecular Mechanics Conference, Paris (Feb 06-07, 2023) * ICMMSC 2023: Molecular Modeling Software for ... Molecular Modelling and Molecular Design Conference, London (Feb 16-17, 2023) * ICMMSC 2023: Molecular Modeling Software and ...
Molecular Modeling | iMechanica
Research area: Thermoelastic Modeling of nano and Contunuum Rods - A Molecular Approach ... molecular and multiscale modeling of cement-based materials. The projects include carrying out bottom-up atomistic and ... with a keen interest in applying this knowledge to molecular modeling of DNA-based nanostructures. The candidate must have ... with a keen interest in applying this knowledge to molecular modeling of DNA-based nanostructures. The candidate must have ...
Molecular ageing in progeroid syndromes: Hutchinson-Gilford progeria syndrome as a model | SpringerLink
Molecular ageing in progeroid syndromes: Hutchinson-Gilford progeria syndrome as a model. *Henrique Douglas M Coutinho. 1, ... Molecular ageing in progeroid syndromes: Hutchinson-Gilford progeria syndrome as a model ... A range of molecular and cellular mechanisms are likely to contribute to the diverse phenotypes that are seen in the ... Its main components are lamins A, B1, B2 and C, with molecular weight ranging from 60,000 to 78,000. Lamins A and C are formed ...
Center for Molecular Modeling - Faculteit Ingenieurswetenschappen en Architectuur - Universiteit Gent
The Center for Molecular Modeling (CMM) extensively uses the supercomputer infrastructure. The above figure shows a snapshot ... Methylation of benzene with methanol in a protonated zeolite, using ab initio molecular dynamics simulations. ... from an ab initio molecular dynamics simulations of the methylation reaction of benzene with methanol. This is one of the key ...
PDF) Using Molecular Simulation to Model High-Resolution Cryo-EM Reconstructions
simulated annealing molecular dynamics simulation. Here, we use a higher. weight to bias our model toward the cryo-EM map. For ... Effect of molecular orientations captured in AFM images on the 3D modeling performance was also examined and it is shown that ... used molecular dynamics simulation biased by cryo-EM electron density. (MDFF) to produce more accurate models of the ternary ... Atomic model of a small region from human ribosome before flexible fitting by the simulated annealing molecular dynamics (A), ...
Molecular Models - 3B Scientific
Eisco Molecular Model Set Includes 135 pieces:Education Supplies, Quantity:
| Fisher Scientific
Chapter 36: Haplotype Inference Models and Algorithms - Algorithms in Computational Molecular Biology: Techniques, Approaches...
Selection from Algorithms in Computational Molecular Biology: Techniques, Approaches and Applications [Book] ... CHAPTER 36 HAPLOTYPE INFERENCE MODELS AND ALGORITHMS Ling-Yun Wu 36.1 INTRODUCTION With complete genome sequences for humans ... Algorithms in Computational Molecular Biology: Techniques, Approaches and Applications by Get full access to Algorithms in ... Get Algorithms in Computational Molecular Biology: Techniques, Approaches and Applications now with the OReilly learning ...
Molecules | Special Issue : Multiscale Chemical Modeling and Simulations Using Quantum Mechanics/Molecular Mechanics (QM/MM)
Special Issue "Multiscale Chemical Modeling and Simulations Using Quantum Mechanics/Molecular Mechanics (QM/MM)". * Special ... Interests: molecular modeling and simulation; theoretical photophysics and photochemistry; time resolved spectroscopy; non- ... Multiscale Chemical Modeling and Simulations Using Quantum Mechanics/Molecular Mechanics (QM/MM) ... This article belongs to the Special Issue Multiscale Chemical Modeling and Simulations Using Quantum Mechanics/Molecular ...
Table - Simplified Model to Survey Tuberculosis Transmission in Countries Without Systematic Molecular Epidemiology Programs -...
A Geospatial Modeling Approach to Quantifying the Risk of Exposure to Environmental Chemical Mixtures Via a Common Molecular...
A Geospatial Modeling Approach to Quantifying the Risk of Exposure to Environmental Chemical Mixtures Via a Common Molecular ... A Geospatial Modeling Approach to Quantifying the Risk of Exposure to Environmental Chemical Mixtures Via a Common Molecular ... A Geospatial Modeling Approach to Quantifying the Risk of Exposure to Environmental Chemical Mixtures Via a Common Molecular ... A Geospatial Modeling Approach to Quantifying the Risk of Exposure to Environmental Chemical Mixtures Via a Common Molecular ...
British Library EThOS: Molecular modelling and bioinformatics studies of CDK4 and related proteins
Molecular modelling and bioinformatics studies of CDK4 and related proteins Author: Shafiq, Muhammad Imtiaz ISNI: 0000 0004 ... CDK4 homology models were generated based on CDK2 templates. However, after the availability of experimentally determined X-ray ... active form by incorporating the structural information from both CDK4 and CDK2 for its later use in molecular modelling. ... the evolution of CDKs is studied and homology models of CDK4 are generated and used to gain insights into its sequential and ...
PDF] SketchBio: a scientist's 3D interface for molecular modeling and animation | Semantic Scholar
... and spring-based layout that accelerate operations common in the formation of molecular models. Design decisions and their ... and spring-based layout that accelerate operations common in the formation of molecular models. BackgroundBecause of the ... a tool that incorporates state-of-the-art bimanual interaction and drop shadows to enable rapid construction of molecular ... many scientists hire programmers or animators to create models and animations. This both slows the discovery process and ...
dr. Alexei Halpin: Two-dimensional spectroscopy of molecular excitons in a model dimer system | Seminars | University of...
Alexei Halpin: Two-dimensional spectroscopy of molecular excitons in a model dimer system ... The physics of molecular excitons has been the subject of many recent studies using two-dimensional electronic spectroscopy ( ... These results, analyzed in the framework of a vibronic exciton model, indicate that the signals observed earlier in ... we present a study on a model dimer comprised of identical chromophores with a well defined electronic coupling strength, such ...
Uncovering a Predictive Molecular Signature for the Onset of NASH-Related Fibrosis in a Translational NASH Mouse Model
An early predictive molecular signature was identified that marked the active profibrotic process before histopathologic ... Uncovering a Predictive Molecular Signature for the Onset of NASH-Related Fibrosis in a Translational NASH Mouse Model Cell Mol ... The aim of this study was to gain insight into the dynamics of key molecular processes involved in NASH and to rank early ... Temporal dynamics of key molecular processes involved in the development of NASH were identified, including lipid metabolism, ...
Multi-modal molecular imaging approaches to detect primary cells in preclinical models - Faraday Discussions (RSC Publishing)
Here we applied new technologies associated with advances in molecular imaging to demonstrate the feasibility of labeling ... Multi-modal molecular imaging approaches to detect primary cells in preclinical models K. Dhaliwal, L. Alexander, G. Escher, A ... Multi-modal molecular imaging approaches to detect primary cells in preclinical models† ... Here we applied new technologies associated with advances in molecular imaging to demonstrate the feasibility of labeling. ...
Ball & spoke DNA Model - MRC Laboratory of Molecular Biology
Ball & spoke DNA Model. Title: Ball & spoke DNA Model. Filename: 00002_5x4_col.jpg. Description: Large ball and spoke model of ... DNA, Francis Crick, James Watson, Models Availability: yes. Source: LMB Visual Aids. Date: Creator: LMB Visual Aids. Copyright ... 2022 MRC Laboratory of Molecular Biology,. Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH, UK. 01223 ... MRC Laboratory of Molecular Biology. One of the worlds leading research institutes, our scientists are working to advance ...
Jmol Molecular Model: Ethanol and Water
Jmol Models Acetanilide. Acetic Acid. Aniline. Benzene. Ethanol. Ethyl Acetate. Glycerol. Indigo. Mauveine. Phenol. Sodium ... Jmol Molecular Model: Ethanol and Water. Use the links in the navigation bar to select the molecule you wish to display. The ... Chime Models. Chem 104. Chem 185. Chem 221. Kevin Dunn. Electrostatics. Bookstore. Marketplace. ... If you have the Chime plugin installed, you may use the "Chime Models" link in the navigation bar. Chime pages generally load ...
Molecular Flow
You can simulate molecular flow, such as rarefied gas flows in vacuum systems, in COMSOL Multiphysics®. See examples and gain ... You can simulate molecular flow, such as rarefied gas flows in vacuum systems, in COMSOL Multiphysics®. See examples and gain ... Modeling Beam Neutralization with a Charge Exchange Cell. December 16, 2014. A charge exchange cell refers to an area of high- ... You can model a charge exchange cell to analyze its neutralization efficiency. ...
Finite Element Modelling Of The Resistive Heating Of Disposable Molecular Diagnostics Devices
We present a finite element model for the simulation of the resistive heating of microchannels in disposable molecular ... We present a finite element model for the simulation of the resistive heating of microchannels in disposable molecular ... We demonstrate a finite element model that could reduce design time and save on prototyping costs. The validity of the model is ... The physical parameters of the available resistive heating elements were used in our finite element model, and the results of ...
Comparative Molecular Genomic Analyses of a Spontaneous Rhesus Macaque Model of Mismatch Repair-Deficient Colorectal Cancer |...
Comparative Molecular Genomic Analyses of a Spontaneous Rhesus Macaque Model of Mismatch Repair-Deficient Colorectal Cancer. ... Comparative Molecular Genomic Analyses of a Spontaneous Rhesus Macaque Model of Mismatch Repair-Deficient Colorectal Cancer ... Comparative Molecular Genomic Analyses of a Spontaneous Rhesus Macaque Model of Mismatch Repair-Deficient Colorectal Cancer ... Comparative Molecular Genomic Analyses of a Spontaneous Rhesus Macaque Model of Mismatch Repair-Deficient Colorectal Cancer ...
PA-07-096: Collaborative Research for Molecular and Genomic Studies of Basic Behavior in Animal Models (R01)
Collaborative Research for Molecular and Genomic Studies of Basic Behavior in Animal Models (R01) PA-07-096. NIGMS ... Title: Collaborative Research for Molecular and Genomic Studies of Basic Behavior in Animal Models (R01). Announcement Type ... The organism should be amenable to state-of-the-art molecular and/or genomic analysis. It may be an established model for some ... There is also a paucity of animal models for many aspects of normal and abnormal human behavior, and some existing models are ...
Towards exact molecular dynamics simulations with invariant machine-learned models
... which hinders truly predictive modeling of dynamics and function of (bio)molecular systems. Classical potentials often fail to ... Our approach provides the key missing ingredient for achieving spectroscopic accuracy in molecular simulations. ... model. The challenge of constructing conservative force fields is accomplished by learning in a Hilbert space of vector-valued ... and quantum mechanics approach that enables the direct reconstruction of flexible molecular force fields from high-level ab ...
2205.08027] Energy transfer in quantum molecular chain -- two models of inhomogeneity
Title:Energy transfer in quantum molecular chain -- two models of inhomogeneity. Authors:B. A. Tay ... Whereas in the first model all exciton modes are connected, in the second model they are coupled in pairs that are not ... The energy transfer efficiency in the first model is affected by the source power whereas in the second model the efficiency is ... In the first model, the minima of the excitation profile in the site basis occur at the edges of the chain, whereas in the ...
The molecular modelling of calixarene inclusion complexes - DORAS
Chapter 2: The molecular modelling of alkali metal complexes with calixarenes. We have published three papers in this area1. ... Chapter 3: The molecular modelling of the enantioselective complexation of chiral amines by chiral calix[4]arenes. With ... The HyperChem molecular modelling software package has been demonstrated to be a straightforward and computationally ... Fayne, Darren (2001) The molecular modelling of calixarene inclusion complexes. PhD thesis, Dublin City University. ...
Progress in RNA Modelling : the RNA-Puzzles contest | Research Institute of Molecular Pathology (IMP)
A mathematical model explains saturating axon guidance responses to molecular gradients | eLife
Mathematical modelling explains why molecular gradients sometimes cause axons to only turn weakly. ... 1) I am not convinced that the anchor point model is a good model for growth cone turning behavior. There is no evidence that ... There is no true prediction of the model (one that would not have been possible before running the model) that is tested in the ... The authors consistently use the wording predicted by the model to describe an outcome of the anchor point model that fits ...
BiologyBiochemistrySimulationsMoleculesSimulation2018Spectroscopy2022StructuralPredictiveMammalianMechanismsBiologicalDockingEpidemiologyPathwaysBiologistsChemistryProteinInitioMultiscaleCharacterizationProcessesExperimentalBioinformaticsToggleMethodsPredictQuantumScientistsInteractionsAnalysesApproachSolidsInsightsGeneticStudiesProteinsTargetsPathophysiologyVitroCompoundsHomologySystematic evaluationOrganicDiagnosisMechanismApproachesVivoChapterEthanolPhylogenyExperimentallyCellular and molecularPathologyResearchAtomicMathematicalCrystalsTechniquesBiochemical
Biology9
- The Laboratory for Computational Biology and Biophysics at MIT ( http://lcbb.mit.edu/ ) is seeking a highly motivated recent PhD graduate with expertise in nonlinear finite element analysis, ideally in the area of beam theory, with a keen interest in applying this knowledge to molecular modeling of DNA-based nanostructures. (imechanica.org)
- Get full access to Algorithms in Computational Molecular Biology: Techniques, Approaches and Applications and 60K+ other titles, with free 10-day trial of O'Reilly. (oreilly.com)
- Get Algorithms in Computational Molecular Biology: Techniques, Approaches and Applications now with the O'Reilly learning platform. (oreilly.com)
- Systems biology pipelines were used for gene set enrichment analysis (GSEA) for pathway discovery, consensus molecular subtyping (CMS), and somatic mutation profiling. (biorxiv.org)
- The purpose of this funding opportunity announcement (FOA), issued by the National Institute of General Medical Sciences (NIGMS) and the National Institute of Child Health and Human Development (NICHD) , National Institutes of Health (NIH), is to facilitate collaborative research, involving behavioral scientists and investigators with expertise in molecular biology and/or genomics, which addresses questions about basic mechanisms of behavior in animal models. (nih.gov)
- Principal investigators and their collaborators must have complementary expertise in behavioral analysis and molecular biology/genomics. (nih.gov)
- Molecular dynamics (MD) simulations constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. (tu-berlin.de)
- Towbin JA, Vatta M. Molecular biology and the prolonged QT syndromes. (medlineplus.gov)
- The 1999 NIH Bioengineering Consortium (BECON) "Biomedical Imaging Symposium: Visualizing the Future of Biology and Medicine" identified imaging at the cellular and molecular level as a critical need for goals such as the early detection of disease. (nih.gov)
Biochemistry1
- The School of Biological Sciences provides PhD and MPhil (research degree) programmes in subjects ranging from basic biochemistry, molecular genetics and cancer research, to agricultural science, marine ecology and the economic evaluation of ecosystem services and food retailing. (qub.ac.uk)
Simulations10
- Methylation of benzene with methanol in a protonated zeolite, using ab initio molecular dynamics simulations. (ugent.be)
- The above figure shows a snapshot from an ab initio molecular dynamics simulations of the methylation reaction of benzene with methanol. (ugent.be)
- The physical parameters of the available resistive heating elements were used in our finite element model, and the results of the simulations compared to experimental data. (witpress.com)
- However, one of the widely recognized and increasingly pressing issues in MD simulations is the lack of accuracy of underlying classical interatomic potentials, which hinders truly predictive modeling of dynamics and function of (bio)molecular systems. (tu-berlin.de)
- Our approach provides the key missing ingredient for achieving spectroscopic accuracy in molecular simulations. (tu-berlin.de)
- New techniques have been introduced for including nuclear quantum effects in molecular simulations at a fraction of the cost of path-integral simulations [11], paving the way for a better understanding of hydrogen bonding and proton transfer in molecular systems. (cecam.org)
- The structure and dynamics of complex biomolecular structures are studied by molecular dynamics simulations. (boku.ac.at)
- We present semi-analytic models for cloud dispersal mediated by photoevaporation and by dynamical mass ejection, and show that the predicted net SFE and mass loss efficiencies are consistent with the results of our numerical simulations. (harvard.edu)
- 2007. Derivation of distributed models of atomic polarizability for molecular Simulations . (ub.edu)
- The project will combine experimental field and lab work with computer simulations to resolve and assess the stability of model marine food webs. (qub.ac.uk)
Molecules7
- These models are great ways to show how molecules act without needing very expensive microscopes. (teachersource.com)
- Experimental terahertz (THz) spectroscopy and molecular modeling were used to investigate the network of non-covalent interactions that serve to connect molecules in the solution-phase and solid-state. (syr.edu)
- Development and application of QM/classical models to describe the effects of plasmonic nanoparticles on the spectroscopic properties of nearby molecules. (gaussian.com)
- M.F. Iozzi, B. Mennucci, J. Tomasi, R. Cammi, "Excitation Energy Transfer (EET) between molecules in condensed matter: a novel application of the Polarizable Continuum Model (PCM)", J. Chem. (gaussian.com)
- The free energy of the gel results from two molecular processes: stretching the network, and mixing the network with the small molecules. (imechanica.org)
- We assume that the local rearrangement is instantaneous, and model the long-range migration by assuming that the small molecules diffuse inside the gel. (imechanica.org)
- In molecular signaling, a group of molecules in a cell work together to control one or more cell functions. (mdanderson.org)
Simulation6
- A user-friendly vision-augmented technique to carry out atomic simulation using hand gestures, allowing the exploration and visualisation of molecular interactions at different relative conformations, and the ease of carrying out molecular dynamics simulation in a more efficient way. (semanticscholar.org)
- We present a finite element model for the simulation of the resistive heating of microchannels in disposable molecular diagnostics devices by means of various resistive heating elements, and demonstrate the validity of this model through experiments. (witpress.com)
- In this work, we propose an improved QM/MM-based strategy to determine condensed-phase polarizabilities and we use this approach to optimize a new and simple polarizable four-site water model for classical molecular simulation. (vu.nl)
- In the field of simulation methodology there has been significant developments in multiscale techniques for modelling crystal growth and habit prediction [9, 10]. (cecam.org)
- S. Jurinovich, G. Pescitelli, L. Di Bari, B. Mennucci, " A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra ", Phys. (gaussian.com)
- I noticed ' homogeneous model' refers to that the multi fluids will share the flow fields in the simulation, and it's often used together with free surface model. (cfd-online.com)
20183
- 2018. Sampling molecular conformations and dynamics in a multiuser virtual reality framework . (mgms.org)
- Two-step self-assembly of a spider silk molecular clamp, Nature Communications (2018). (phys.org)
- After being a fellow in the programme in 2018, I repeated the experience the following year and have been involved in subsequent projects of the Molecular Modelling and Bioinformatics group until now. (irbbarcelona.org)
Spectroscopy1
- The physics of molecular excitons has been the subject of many recent studies using two-dimensional electronic spectroscopy (2DES), particularly in the context of light harvesting in photosynthesis. (rug.nl)
20221
- 2022 ) Molecular Ecology Resources. (datadryad.org)
Structural6
- Docking is among a number of structural bioinformatics strategies trying to understand molecular recognition, both to understand structure to function relationships in macromolecules, and to derive tools useful in fields like drug design. (bsc.es)
- The main focus of our research is the development and optimization for High-Performing-Computing (HPC) of computational methodology for the structural and energetic characterization of protein interactions at molecular level. (bsc.es)
- In the present work the structural features of the active sites of CDKs are compared, the evolution of CDKs is studied and homology models of CDK4 are generated and used to gain insights into its sequential and structural features. (bl.uk)
- However, after the availability of experimentally determined X-ray structures of CDK4 in an inactive form, CDK4 models were built in a putative active form by incorporating the structural information from both CDK4 and CDK2 for its later use in molecular modelling. (bl.uk)
- In addition, exploring the vast conformational and structural flexibility of molecular materials is challenging even for empirical potentials: predicting the stable polymorphic forms of a molecular crystal might require considering thousands of different structures. (cecam.org)
- Today, it is possible to manufacture artificial spider silk of similar properties as the prototype, but the molecular-level structural details responsible for material properties await to be disclosed. (phys.org)
Predictive4
- We assessed the overall predictive value of such molecular machine models by dynamic localization of ten previously uncharacterized proteins within the living embryo. (nature.com)
- An early predictive molecular signature was identified that marked the active profibrotic process before histopathologic fibrosis becomes manifest. (nih.gov)
- This work introduces the most accurate predictive model of growth cone trajectories to date, and deepens our understanding of axon guidance events both in vitro and in vivo. (elifesciences.org)
- 2.To develop a predictive model based on clinical-pathologic characteristics in Asian NSCLC patients. (who.int)
Mammalian3
- Emerging models for the molecular basis of mammalian circadian timing. (escholarship.org)
- This generalisable approach provides unprecedented temporal control over the dose of endogenous proteins in mouse models, with implications for studying essential biological pathways and modelling drug activity in mammalian tissues. (elifesciences.org)
- In mammalian cell based models of both polyglutamine and polyalanine diseases, the mutant proteins are much more prone to aggregate formation than their wild-type counterparts and cause significantly more cell death. (bmj.com)
Mechanisms5
- This situation has prompted a search for agents that cause tumor cell death via molecular mechanisms independent of p53. (aspetjournals.org)
- Defining these detailed mechanisms will provide a foundation for understanding the molecular basis of circadian timing and help to establish new platforms for the discovery of therapeutics to manipulate the clock. (escholarship.org)
- Ultimately,' he adds, 'better knowledge of molecular mechanisms in infection may suggest strategies to interrupt the viral life cycle and treat infections. (infectioncontroltoday.com)
- Denic also studies the molecular mechanisms of age-related deterioration in budding yeast. (harvard.edu)
- We utilise complex models (3D, co-culture, new matrices) to unravel the inricate mechanisms underpinning immune responses to advanced therapeutics. (liverpool.ac.uk)
Biological6
- Molecular recognition is the basis of biological function. (bsc.es)
- One of the world's leading research institutes, our scientists are working to advance understanding of biological processes at the molecular level - providing the knowledge needed to solve key problems in human health. (cam.ac.uk)
- We used an in vitro model to investigate the early biological effects of TNFa and IFNgamma on oxidant production by alveolar macrophages (AM). We used chemiluminescence (CL) as an indirect method to measure oxygen radical generation. (cdc.gov)
- The study team, formerly based at the Salk Institute for Biological Studies in La Jolla, Calif., published their current findings online March 8 in Molecular Cell. (infectioncontroltoday.com)
- Many of the leukemia terms have undergone name changes as immunophenotypic and molecular biological techniques have made diagnosis more precise. (bvs.br)
- 7 These NHPs were cynomolgus macaques used for preclinical research, drug development, disease modelling, experimental infections, and biological production, with breeders being collected from wildlife trapping areas mostly in southern Philippines. (who.int)
Docking4
- Analyze lysosomotropic agents and their action on COVID-19 targets using the molecular docking technique. (bvsalud.org)
- Molecular docking analyses of these lysosomotropic agents were performed, namely of fluoxetine, imipramine, chloroquine, verapamil, tamoxifen, amitriptyline, and chlorpromazine against important targets for the pathogenesis of SARS-CoV-2. (bvsalud.org)
- Molecular Docking. (bvsalud.org)
- aAnalisar agentes lisossomotrópicos e sua ação em alvos de COVID-19 usando a técnica de docking molecular. (bvsalud.org)
Epidemiology1
- 1.To evaluate the molecular epidemiology of NSCLC in Asia via comprehensive, prospective molecular profiling of lung cancer specimens â? (who.int)
Pathways5
- The first goal is to detect and quantify at the molecular and cellular level the cellular pathways that regulate heart, lung and blood function, and the abnormalities in these pathways occurring in heart, lung, blood and sleep disorders. (nih.gov)
- Molecular imaging is a growing research area aimed at developing and testing novel tools, reagents, and methods to image specific molecular pathways in vivo, particularly those that are key targets in disease processes. (nih.gov)
- Research Scope The emerging field of molecular imaging uses novel reagents and methods to image specific cellular and molecular pathways in vivo, particularly those that are key targets in disease processes. (nih.gov)
- 10, 11 In such models, aggregate formation and cell death can be reduced by overexpressing yeast and bacteria derived chaperones that do not appear to protect against some other cell death pathways. (bmj.com)
- Moon shots investigators have also identified faulty molecular signaling pathways that lead to drug resistance in some MDS patients. (mdanderson.org)
Biologists1
- Alberts, B. The cell as a collection of protein machines: preparing the next generation of molecular biologists. (nature.com)
Chemistry1
- ChemDoodle 3D is a powerhouse for working with chemistry in 3D with industry leading molecular modeling tools and best-in-class graphics. (chemdoodle.com)
Protein4
- Computer generated molecular model of an HIV protein. (scienceimage.csiro.au)
- After having reliable conformations of them, we build glycosylated proteins by modeling glycan structures onto available deglycosylated protein structures with different techniques in the absence of any experimental data. (boku.ac.at)
- Scientists from the University of Würzburg discovered new molecular details of self-assembly of a spider silk fibre protein. (phys.org)
- The molecular interaction between hemoglobin (HHb), the major human heme protein, and the acridine dyes acridine orange (AO) and 9-aminoacridine (9AA) was studied by various spectroscopic, calorimetric and molecular modeling techniques. (jascoinc.com)
Initio1
- In this thesis, we develop a combined machine learning (ML) and quantum mechanics approach that enables the direct reconstruction of flexible molecular force fields from high-level ab initio calculations. (tu-berlin.de)
Multiscale1
- Ph.D and postdoctoral associate positions are available at Rice University i n the broad area of atomistic, molecular and multiscale modeling of cement-based materials. (imechanica.org)
Characterization3
- Our study incorporated a detailed molecular characterization of rhesus CRC for cross-comparison with human MMRd CRC. (biorxiv.org)
- IMSEAR at SEARO: Molecular characterization and modeling of secondary structure of 16S rRNA from aeromonas veronii. (who.int)
- Molecular imaging can be broadly defined as the in vivo characterization and measurement of biologic processes at the cellular and molecular level. (nih.gov)
Processes7
- Although numerous fundamental aspects of development have been uncovered through the study of individual genes and proteins, system-level models are still missing for most developmental processes. (nature.com)
- The aim of this study was to gain insight into the dynamics of key molecular processes involved in NASH and to rank early markers for hepatic fibrosis. (nih.gov)
- Temporal dynamics of key molecular processes involved in the development of NASH were identified, including lipid metabolism, inflammation, oxidative stress, and fibrosis. (nih.gov)
- This class of models is very common, and can be used to describe many astrophysical processes, including the distribution of protostars in molecular clouds. (u-strasbg.fr)
- Development and application of QM methods to model excitonic processes in supramolecular systems in condensed phase. (gaussian.com)
- This initiative seeks to take advantage of the rapid advances that have taken place in imaging technology, allowing normal and pathological processes to be studied in vivo at the molecular and cellular level. (nih.gov)
- His lab is applying new gene editing and control technologies, such as CRISPR/Cas9, to model these disease processes. (harvard.edu)
Experimental4
- have built a mathematical model that accounts for the way that nerve fibres respond to chemical gradients, and showed that the model closely matched new experimental data on the growth of nerve fibres from the rat brain. (elifesciences.org)
- Synergistic, combined theoretical and experimental studies of structure and dynamics in molecular systems have also flourished in the past decade [6]. (cecam.org)
- Molecular modeling was utilized to predict the structure and vibrations of the samples and guide the analysis of the experimental data. (syr.edu)
- Review and update of ultrasonic vocalization in animals: Correlation with autism spectrum disorder experimental models? (bvsalud.org)
Bioinformatics1
- Through the Maths4Life Programme, last July I joined the Molecular Modelling and Bioinformatics group led by Dr. Modesto Orozco at IRB. (irbbarcelona.org)
Toggle1
- So my question is that once I didn't choose free surface model, does it mean I needn't toggle the 'homogeneous model' option please? (cfd-online.com)
Methods8
- Molecular materials are of great fundamental and applied importance in science and industry and provide fertile ground for the continuing development of theoretical methods. (cecam.org)
- However, there are a number of challenges in applying such methods to molecular systems. (cecam.org)
- Methods: For animal studies, a well-established model of mouse intranasal inhalation was employed. (cdc.gov)
- The need for the development of improved methods for molecular and cellular imaging and for cell tracking was identified at several NIH-sponsored workshops and meetings. (nih.gov)
- The prescreening methods developed in this study performed better than the screening score model that had been developed previously and may be more effective method for prediabetes screening. (hindawi.com)
- In this study, we aimed to develop and validate models to predict prediabetes using artificial neural network (ANN) and support vector machine (SVM) methods, which could be effective as simple and accurate screening tools. (hindawi.com)
- The UBC Centre for Molecular Medicine and Therapeutics based at the BC Children's Hospital Research Institute is home to a highly collaborative community of scientists connected by a common commitment to use leading edge molecular methods to advance development of therapeutics for human disease. (ubc.ca)
- Supported by underpinning technological expertise in cutting edge molecular, genomic, transcriptomic/proteomic and metabolomic methods, the goal of the theme is to transform Agri-Food systems so that they benefit both human nutrition and health while simultaneously reducing the greenhouse gases emissions from livestock production systems, protecting ecological resources, supporting livelihoods and affordable foods, and upholding social, cultural, and ethical values. (qub.ac.uk)
Predict3
- s model can now be used to predict nerve fibre responses in many other situations, and could help researchers to understand more about how the brain becomes wired up during development. (elifesciences.org)
- We have used molecular modeling to predict CO 2 adsorption in a variety of MOFs under conditions relevant for carbon capture. (northwestern.edu)
- Oyekola Oyekole (Applied Computational Mathematics and Statistics) impressed with his work on the use of mathematical models to more accurately predict the likelihood that a cardio vascular aneurysm may rupture. (nd.edu)
Quantum4
- These results, analyzed in the framework of a vibronic exciton model, indicate that the signals observed earlier in photosynthetic proteins likely reflect vibrational motion in isolated pigments, and not delocalized quantum coherence. (rug.nl)
- Using conservation of energy -- a fundamental property of closed classical and quantum mechanical systems -- we derive an efficient gradient-domain machine learning (GDML) model. (tu-berlin.de)
- By fitting electrostatic, polarization and dispersion properties of our water model based on quantum and/or combined QM/MM calculations, only a single model parameter (describing exchange repulsion) is left for empirical calibration. (vu.nl)
- View atomic orbital models based on quantum numbers with the Orbitals widget. (chemdoodle.com)
Scientists2
- BackgroundBecause of the difficulties involved in learning and using 3D modeling and rendering software, many scientists hire programmers or animators to create models and animations. (semanticscholar.org)
- Computational approaches to molecular-materials design can enable scientists to explore the properties of materials in silico, identifying key properties of interest before the costly process of obtaining the material in a laboratory. (cecam.org)
Interactions5
- With reference to the enantioselective complexation studies we have shown that by using molecular modelling software, an insight can be gained into the interactions that occur on complexation of chiral amines by chiral calixarenes. (dcu.ie)
- Understanding how atomic-level interactions, structure, and dynamics in molecular materials dictate such macroscopic properties is essential for rational material design. (cecam.org)
- These improvements have gone hand-in-hand with a deeper understanding of the role of non-covalent interactions, particularly van der Waals interactions [3-5], in governing cohesive properties of molecular crystals and supramolecular assemblies. (cecam.org)
- This animation shows the molecular interactions involved in the negative feedback loop responsible for circadian rhythms in mammals. (dnatube.com)
- Molecular modeling studies specified the binding site and the non-covalent interactions involved in the association. (jascoinc.com)
Analyses2
- For the purpose of reproducibility, we here provide key datasets supporting the analyses of the paper 'Target enrichment of long open reading frames and ultraconserved elements to link microevolution and macroevolution in non-model organisms' by Ortiz-Sepulveda et al. (datadryad.org)
- Knowledge of R and statistics, marine invertebrate identification, laboratory based molecular analyses, experience of running experiments. (qub.ac.uk)
Approach5
- A data-integrative approach enabled identification of the active fibrotic process preceding histopathologic detection using a novel molecular fibrosis signature. (nih.gov)
- The resulting model performs well in describing relevant pure-liquid thermodynamic and transport properties, which illustrates the merit of our approach to minimize the number of free variables in our model. (vu.nl)
- S. Caprasecca, C. Curutchet, B. Mennucci, "Toward a unified modeling of environment and bridge-mediated contributions to electronic energy transfer: a fully polarizable QM/MM/PCM approach", J. Chem. (gaussian.com)
- which approach do you refer to , the passive scalar in multicomponent model? (cfd-online.com)
- Your first line is correct - if the mixing is on the molecular level then a multiphase approach is not appropriate. (cfd-online.com)
Solids2
Insights1
- While epidemiological data are available for the dose and dose -rate effectiveness factor (DDREF) for human populations , animal models have contributed significantly to providing quantitative data with mechanistic insights. (bvsalud.org)
Genetic5
- The objective of this present work was to carry out a literature review of the molecular traits and clinical features of Hutchinson-Gilford progeria syndrome (HGPS), in a search based on mutations in the genes involved with this genetic disease. (springer.com)
- In this scenario, the zebrafish has arisen as a promising animal model to progress further due to its unique characteristics, such as transparency, ease of genetic manipulation, ethical and economic advantages and also conservation of the major brain regions and blood-brain-barrier (BBB) which are similar to a human structure. (usc.es)
- A few papers described in this review, using genetic and xenotransplantation zebrafish models have been used to study GBM as well as to test the anti-tumoral efficacy of new drugs, their ability to interact with target cells, modulate the tumor microenvironment, cross the BBB and/or their toxicity. (usc.es)
- Genetic and transgenic studies are consistent with a model where expanded polyglutamines cause disease by conferring a novel toxic function on the disease proteins. (bmj.com)
- 2001), but also as phenotypic information to identify affected sibpairs for molecular genetic studies as described in Table 1. (helsinki.fi)
Studies5
- Overall, our workflow and results provide exciting perspectives for integrative genomic studies of microevolutionary and macroevolutionary dynamics in non-model organisms. (datadryad.org)
- Data from 450 patients with centrally diagnosed LGGs recruited into 2 large studies conducted by North American cooperative groups were used to validate the models. (eur.nl)
- These studies will be performed in a rat model exposed to WTC dusts obtained within 72 hr after the buildings collapsed, using exposures that mimic exposures and dust levels faced by FR. (cdc.gov)
- Regarding animal models in ASD, many studies focus on gene expression, cortical neuronal migration and cell maturation, and neural network deficits. (bvsalud.org)
- The object of our study aimed to review and to correlate genes involved in ASD and those related to ultrasonic communication in animal model studies of language-based social behavior at the PubMed database. (bvsalud.org)
Proteins2
- Embryonic localization patterns of GFP-tagged fusion proteins analysed by time-lapse microscopy are largely consistent with model predictions. (nature.com)
- The determination of the exact molecular structure of glycosylated proteins is often a challenge due to the inherent flexible nature of glycan units. (boku.ac.at)
Targets4
- Molecular gradients provide critical signals to guide growth cones, which are the motile tips of developing axons, to their targets. (elifesciences.org)
- Axon guidance, where axons grow and navigate to their targets, occurs primarily via the sensing of molecular cues in the environment. (elifesciences.org)
- Combined, these data verify the p53-independence of cell death caused by inhibitors of the proteasome pathway and support the proposition that the ubiquitin-dependent proteasome pathway may contain molecular targets suitable for antineoplastic drug discovery. (aspetjournals.org)
- Viral E3 Ubiquitin Ligase-Mediated Degradation of a Cellular E3: Viral Mimicry of a Cellular Phosphorylation Mark Targets the RNF8 FHA Domain,' Molecular Cell, published online March 8, 2012, to appear in print, April 13, 2012. (infectioncontroltoday.com)
Pathophysiology2
- Molecular Pathophysiology of Congenital Long QT Syndrome. (medlineplus.gov)
- Here we will give a brief overview of the roles of IgE in allergic pathophysiology, and the molecular and cellular factors that ultimately regulate IgE production and Th2 expansion. (jci.org)
Vitro4
- However, in vitro, growth cones trace highly stochastic trajectories, and exactly how molecular gradients bias their movement is unclear. (elifesciences.org)
- This model provides a mathematical explanation for why average axon turning angles in gradients in vitro saturate very rapidly with time at relatively small values. (elifesciences.org)
- Our recent investigations with electrophilic prostaglandins enabled us to devise a pharmacophore and mechanism of action hypothesis relevant to this problem: a cross-conjugated α,β-unsaturated dienone with two sterically accessible electrophilic β-carbons is a molecular determinant that confers activity among this class of ubiquitin isopeptidases inhibitors, and that inhibitors of ubiquitin isopeptidases cause cell death in vitro independently of p53. (aspetjournals.org)
- Relating in vitro to in vivo exposures with physiologically based tissue dosimetry and tissue response models. (cdc.gov)
Compounds2
- Molymod Molecular Model Sets demonstrate chemical compounds in three dimensions. (teachersource.com)
- Molecular aspects of monooxygenases and bioactivation of toxic compounds. (cdc.gov)
Homology2
Systematic evaluation2
- Bae, YS, Wilmer, CE, Yazaydin, AO & Snurr, RQ 2011, ' Molecular modeling and systematic evaluation of metal-organic frameworks for CO 2 capture ', ACS National Meeting Book of Abstracts . (northwestern.edu)
- We developed two models to screen for prediabetes using an artificial neural network (ANN) and support vector machine (SVM) and performed a systematic evaluation of the models using internal and external validation. (hindawi.com)
Organic2
- A new model has revealed how tiny tweaks to the molecular shapes in non-fullerene acceptors can improve the performance of organic solar cells. (materialstoday.com)
- The applications of molecular materials are wide, ranging from pharmaceuticals to molecular sensors, hybrid organic-inorganic interfaces, as well as energy capture using dye-sensitised solar cells. (cecam.org)
Diagnosis1
- The ability to obtain molecular information in vivo would help to understand the abnormalities underlying cardiovascular, pulmonary, and blood diseases, would have profound impact on the diagnosis of these conditions, and could provide rapid and efficient assessment of treatment effectiveness. (nih.gov)
Mechanism1
- As one of our main research lines, we model enzymatic activity addressing not only the atomic (and electronic) detailed mechanism but also suggesting mutations for changes in activity, substrate specificity, etc. (bsc.es)
Approaches2
- The findings from this study support the use of rhesus macaques as the preferred animal model to study carcinogenesis, develop immunotherapies and vaccines, and implement chemoprevention approaches pertinent to sporadic MSI-H and LS CRC in humans. (biorxiv.org)
- While DFT can provide reasonable molecular geometries it suffers from severe problems in predicting electronic properties, which calls for much more expensive many-body approaches. (cecam.org)
Vivo2
- The availability of these basic science tools enhances the capacity of molecular imaging to address basic biologic questions in vivo and to do this in a high-throughput fashion. (nih.gov)
- 11, 15 Members of the HSP70 and HSP40 family members are recruited to polyQ inclusions in vivo and in cell models. (bmj.com)
Chapter2
Ethanol1
- Aim: To evaluate the long-term bond strength, degree of conversion and resistance to degradation in ethanol of HEMA-containing and HEMA-free model adhesive resins of a three-step etch-andrinse adhesive system. (bvsalud.org)
Phylogeny1
- Phylogeny -- Molecular aspects. (amnh.org)
Experimentally1
- Designing, synthesising, and experimentally isolating and characterising molecular materials is very costly and time consuming. (cecam.org)
Cellular and molecular2
- The production of IgE is tightly regulated and involves a complex network of cellular and molecular signals. (jci.org)
- Learning details of how cells respond to viruses helps us to understand key cellular machinery better,' says study leader Matthew D. Weitzman, PhD, of the Center for Cellular and Molecular Therapeutics at The Children's Hospital of Philadelphia. (infectioncontroltoday.com)
Pathology4
- New models in patients with LGGs diagnosed by central pathology revieware needed. (eur.nl)
- Datafrom339EORTCpatients withLGGsdiagnosed by central pathology reviewwere used to develop newprognostic models for progression-free survival (PFS) and overall survival (OS). (eur.nl)
- Wehave developed new prognostic models in a more homogeneous LGG population diagnosed by central pathology review. (eur.nl)
- This population better fits with modern practice, where patients are enrolled in clinical trials based on central or panel pathology review.We could validate the models in a large, external, and independent dataset. (eur.nl)
Research4
- For several decades, basic research on acquired and inherited retinal degeneration was substantially based on a variety of animal models, most of them originating from spontaneous mutations, others induced by damaging external agents. (bmj.com)
- With all of these potential applications, the design and control of molecular materials is one of the grand challenges of physical and chemical research. (cecam.org)
- While there has been limited use of imaging techniques that may be defined as "molecular" for imaging heart, lung, and blood,(e.g., imaging with monoclonal antibodies or receptor imaging with nuclear techniques), it is only recently that needed adjunct basic research tools have become routinely available. (nih.gov)
- Animal models in research. (amnh.org)
Atomic1
- R. Cammi, B. Mennucci, J. Tomasi, "Nuclear Magnetic Shieldings in Solution: Gauge Invariant Atomic Orbital Calculation using the Polarizable Continuum Model," J. Chem. (gaussian.com)
Mathematical1
- Here, we introduce a mathematical model based on persistence, bias, and noise to describe this behaviour, constrained directly by measurements of the detailed statistics of growth cone movements in both attractive and repulsive gradients in a microfluidic device. (elifesciences.org)
Crystals1
- Molecular Crystals and Liquid Crystals , 509. (strath.ac.uk)
Techniques3
- Participation of experimentalists interested in application molecular modeling techniques is encouraged. (materialstoday.com)
- Development of new molecular probes for conventional imaging techniques such as MRI and ultrasound, and application of new technologies such as optical imaging show great promise, but their use in the cardiovascular, pulmonary, and hematopoietic systems is still limited. (nih.gov)
- The need for improved molecular and cellular imaging techniques was a common thread running through recommendations from several of the subgroups of the January 2003 NHLBI Spark II Conference ( http://www.nhlbi.nih.gov/funding/fromdir/spark2web.htm ). (nih.gov)
Biochemical1
- obtain biochemical/molecular clues to the CV/neurologic problems of exposed FR. (cdc.gov)