CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses. - Wikidata - wikimedia - TriplyDB

CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses.

CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses.

http://www.wikidata.org/entity/Q33693774

about

Evolution of Xylan Substitution Patterns in Gymnosperms and Angiosperms: Implications for Xylan Interaction with Cellulose Recent Developments and Applications of the CHARMM force fields Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approach An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications The anomeric effect: the dominance of exchange effects in closed-shell systems CHARMM additive and polarizable force fields for biophysics and computer-aided drug design Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins.Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments.Perturbation of long-range water dynamics as the mechanism for the antifreeze activity of antifreeze glycoprotein.CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptides Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.Two glycosylation sites in H5N1 influenza virus hemagglutinin that affect binding preference by computer-based analysis.Carbohydrate force fields Development of the CHARMM Force Field for Lipids.Revealing the Mechanisms of Protein Disorder and N-Glycosylation in CD44-Hyaluronan Binding Using Molecular Simulation Molecular dynamics simulations of glycoproteins using CHARMM.The solution structures of native and patient monomeric human IgA1 reveal asymmetric extended structures: implications for function and IgAN disease GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations.Conformational determinants of the activity of antiproliferative factor glycopeptide.Bifurcated hydrogen bonding and asymmetric fluctuations in a carbohydrate crystal studied via X-ray crystallography and computational analysis.Molecular mechanics.Perspective: Coarse-grained models for biomolecular systems.Molecular determinants for cyclo-oligosaccharide-based nanoparticle-mediated effective siRNA transfection.Estimating glycosaminoglycan-protein interaction affinity: water dominates the specific antithrombin-heparin interaction.Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.EK3D: an E. coli K antigen 3-dimensional structure database.Conformational Heterogeneity of the HIV Envelope Glycan Shield.Conformational sampling of oligosaccharides using Hamiltonian replica exchange with two-dimensional dihedral biasing potentials and the weighted histogram analysis method (WHAM).CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates.Insights into furanose solution conformations: beyond the two-state model.Effects of viscosity and osmotic stress on the reaction of human butyrylcholinesterase with cresyl saligenin phosphate, a toxicant related to aerotoxic syndrome: kinetic and molecular dynamics studies.The role of catalytic residue pKa on the hydrolysis/transglycosylation partition in family 3 β-glucosidases.Reparameterization of Solute-Solute Interactions for Amino Acid-Sugar Systems Using Isopiestic Osmotic Pressure Molecular Dynamics Simulations.Nanoscale Engineering of Designer Cellulosomes.CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses.Molecular modeling evidence for His438 flip in the mechanism of butyrylcholinesterase hysteretic behavior.

P2860

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P2860

CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses.

http://www.wikidata.org/entity/Q33693774

description

2010 nî lūn-bûn

@nan

2010 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած

@hyw

2010 թվականի հոտեմբերին հրատարակված գիտական հոդված

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2010年の論文

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2010年学术文章

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2010年学术文章

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2010年学术文章

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2010年学术文章

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2010年学术文章

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2010年學術文章

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name

CHARMM additive all-atom force ...... ohydrates involving furanoses.

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CHARMM additive all-atom force ...... ohydrates involving furanoses.

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type

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CHARMM additive all-atom force ...... ohydrates involving furanoses.

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CHARMM additive all-atom force ...... ohydrates involving furanoses.

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prefLabel

CHARMM additive all-atom force ...... ohydrates involving furanoses.

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CHARMM additive all-atom force ...... ohydrates involving furanoses.

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Journal of Physical Chemistry B

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CHARMM additive all-atom force ...... bohydrates involving furanoses

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P2093

Olgun Guvench

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P2860

Canonical dynamics: Equilibrium phase-space distributions

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

CHARMM: the biomolecular simulation program

All-atom empirical potential for molecular modeling and dynamics studies of proteins

The Cambridge Structural Database: a quarter of a million crystal structures and rising

Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types.

Automated conformational energy fitting for force-field development.

CHARMM additive all-atom force field for aldopentofuranoses, methyl-aldopentofuranosides, and fructofuranose.

CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates and Inositol.

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

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12981-12994

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scholarly article

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