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

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

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

http://www.wikidata.org/entity/Q33495295

about

Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent Successes Molecular simulations of carbohydrates and protein-carbohydrate interactions: motivation, issues and prospects 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 BamA POTRA Domain Interacts with a Native Lipid Membrane Surface Refinement of OprH-LPS Interactions by Molecular Simulations.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.Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics.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.CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses.E. coli outer membrane and interactions with OmpLA.Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptides CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.CHARMM-GUI Membrane Builder toward realistic biological membrane simulations.Carbohydrate force fields Development of the CHARMM Force Field for Lipids.Solvation properties of N-acetyl-β-glucosamine: molecular dynamics study incorporating electrostatic polarization.Revealing the Mechanisms of Protein Disorder and N-Glycosylation in CD44-Hyaluronan Binding Using Molecular Simulation Molecular dynamics simulations of glycoproteins using CHARMM.Insight into Early-Stage Unfolding of GPI-Anchored Human Prion Protein.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.Computational glycoscience: characterizing the spatial and temporal properties of glycans and glycan-protein complexes.Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase.Challenges in structural approaches to cell modeling.Conformational flexibility of N-glycans in solution studied by REMD simulations.Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.Robustness in the fitting of molecular mechanics parameters.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).All-atom polarizable force field for DNA based on the classical Drude oscillator model Optimizing Solute-Solute Interactions in the GLYCAM06 and CHARMM36 Carbohydrate Force Fields Using Osmotic Pressure Measurements.Lipopolysaccharide membrane building and simulation.CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates.Insights into furanose solution conformations: beyond the two-state model.

P2860

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P2860

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

http://www.wikidata.org/entity/Q33495295

description

2009 nî lūn-bûn

@nan

2009 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած

@hyw

2009 թվականի սեպտեմբերին հրատարակված գիտական հոդված

@hy

2009年の論文

@ja

2009年論文

@yue

2009年論文

@zh-hant

2009年論文

@zh-hk

2009年論文

@zh-mo

2009年論文

@zh-tw

2009年论文

@wuu

name

CHARMM additive all-atom force ...... ranosides, and fructofuranose.

@ast

CHARMM additive all-atom force ...... ranosides, and fructofuranose.

@en

type

label

CHARMM additive all-atom force ...... ranosides, and fructofuranose.

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CHARMM additive all-atom force ...... ranosides, and fructofuranose.

@en

prefLabel

CHARMM additive all-atom force ...... ranosides, and fructofuranose.

@ast

CHARMM additive all-atom force ...... ranosides, and fructofuranose.

@en

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Journal of Physical Chemistry B

P1476

CHARMM additive all-atom force ...... uranosides, and fructofuranose

@en

P2093

Elizabeth Hatcher

http://www.w3.org/2001/XMLSchema#string

Olgun Guvench

http://www.w3.org/2001/XMLSchema#string

P2860

Canonical dynamics: Equilibrium phase-space distributions

CHARMM: the biomolecular simulation program

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

VMD: visual molecular dynamics

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

Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

Conformational Studies of Methyl β-d-Arabinofuranoside Using the AMBER/GLYCAM Approach.

Automated conformational energy fitting for force-field development.

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

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

P304

12466-12476

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scholarly article

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10.1021/JP905496E

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37

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113

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P577

2009-09-01T00:00:00Z

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26754995

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19694450

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2741538

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