Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme.
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Neighbor-dependent Ramachandran probability distributions of amino acids developed from a hierarchical Dirichlet process modelCHARMM: the biomolecular simulation programSynergistic applications of MD and NMR for the study of biological systemsMolecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases.Comparison of multiple Amber force fields and development of improved protein backbone parametersRecent Developments and Applications of the CHARMM force fieldsInterconversion of functional motions between mesophilic and thermophilic adenylate kinasesIntegrated analysis of residue coevolution and protein structures capture key protein sectors in HIV-1 proteinsAssembly and stability of Salmonella enterica ser. Typhi TolC protein in POPE and DMPE.Binding and release of cholesterol in the Osh4 protein of yeastCHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataPrinceton_TIGRESS: protein geometry refinement using simulations and support vector machines.Using quantum mechanics to improve estimates of amino acid side chain rotamer energiesMicrosecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteinsSymmetry-restrained molecular dynamics simulations improve homology models of potassium channelsDifferent dynamics and pathway of disulfide bonds reduction of two human defensins, a molecular dynamics simulation study.Princeton_TIGRESS 2.0: High refinement consistency and net gains through support vector machines and molecular dynamics in double-blind predictions during the CASP11 experiment.Protein Structure Classification and Loop Modeling Using Multiple Ramachandran Distributions.PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles.The allosteric role of the Ca2+ switch in adhesion and elasticity of C-cadherin.Flow-induced structural transition in the beta-switch region of glycoprotein IbStarting-structure dependence of nanosecond timescale intersubstate transitions and reproducibility of MD-derived order parameters.Molecular dynamics simulations of a new branched antimicrobial peptide: a comparison of force fields.Correct folding of an α-helix and a β-hairpin using a polarized 2D torsional potential.Acceptable protein and solvent behavior in primary hydration shell simulations of hen lysozymeOptimized molecular dynamics force fields applied to the helix-coil transition of polypeptidesRevealing Hidden Conformational Space of LOV Protein VIVID Through Rigid Residue Scan Simulations.Ribonucleotide Reductase Requires Subunit Switching in Hypoxia to Maintain DNA ReplicationTertiary and secondary structure elasticity of a six-Ig titin chain.ff14IDPs force field improving the conformation sampling of intrinsically disordered proteins.Test and Evaluation of ff99IDPs Force Field for Intrinsically Disordered Proteins.Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulationsReoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: influence on the folding properties of two beta-peptides in methanol.Probing the periplasmic-open state of lactose permease in response to sugar binding and proton translocationImportance of the peptide backbone description in modeling the selectivity filter in potassium channels.Comparative study of the energetics of ion permeation in Kv1.2 and KcsA potassium channels.Challenges in protein folding simulations: Timescale, representation, and analysisStructural models of TREK channels and their gating mechanism.A coupled two-dimensional main chain torsional potential for protein dynamics: generation and implementation.Microseconds simulations reveal a new sodium-binding site and the mechanism of sodium-coupled substrate uptake by LeuT
P2860
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P2860
Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
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2005年学术文章
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2005年学术文章
@zh-hans
2005年学术文章
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2005年学术文章
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2005年學術文章
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name
Importance of the CMAP correct ...... eld: dynamics of hen lysozyme.
@en
Importance of the CMAP correct ...... eld: dynamics of hen lysozyme.
@nl
type
label
Importance of the CMAP correct ...... eld: dynamics of hen lysozyme.
@en
Importance of the CMAP correct ...... eld: dynamics of hen lysozyme.
@nl
prefLabel
Importance of the CMAP correct ...... eld: dynamics of hen lysozyme.
@en
Importance of the CMAP correct ...... eld: dynamics of hen lysozyme.
@nl
P2860
P1433
P1476
Importance of the CMAP correct ...... eld: dynamics of hen lysozyme.
@en
P2093
Alexander D MacKerell
Richard W Pastor
P2860
P356
10.1529/BIOPHYSJ.105.078154
P407
P577
2005-12-16T00:00:00Z