Molecular dynamics simulations of protein folding from the transition state.
about
CHARMM: the biomolecular simulation programInsights into protein aggregation by NMR characterization of insoluble SH3 mutants solubilized in salt-free waterThe redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulationsComputational model for protein unfolding simulation.Turbulent phenomena in protein folding.P versus Q: structural reaction coordinates capture protein folding on smooth landscapes.Short amino acid stretches can mediate amyloid formation in globular proteins: the Src homology 3 (SH3) case.Transition states for protein folding have native topologies despite high structural variability.Formation of the folding nucleus of an SH3 domain investigated by loosely coupled molecular dynamics simulations.Calculation of mutational free energy changes in transition states for protein folding.Posttransition state desolvation of the hydrophobic core of the src-SH3 protein domainTemperature-induced unfolding of epidermal growth factor (EGF): insight from molecular dynamics simulationMolecular dynamics simulation of phosphorylated KID post-translational modification.Phi-value analysis by molecular dynamics simulations of reversible folding.Induced fit or conformational selection for RNA/U1A foldingStructured pathway across the transition state for peptide folding revealed by molecular dynamics simulationsRecent developments in methods for identifying reaction coordinates.A directed essential dynamics simulation of peptide folding.Simulation, experiment, and evolution: understanding nucleation in protein S6 folding.Surfing on protein folding energy landscapes.VP40 of the Ebola Virus as a Target for EboV Therapy: Comprehensive Conformational and Inhibitor Binding Landscape from Accelerated Molecular Dynamics.Global conformational selection and local induced fit for the recognition between intrinsic disordered p53 and CBPThe role of side-chain interactions in the early steps of aggregation: Molecular dynamics simulations of an amyloid-forming peptide from the yeast prion Sup35.Analysis of the distributed computing approach applied to the folding of a small beta peptide.A one-dimensional reaction coordinate for identification of transition states from explicit solvent P(fold)-like calculations.Conformational selection and induced fit for RNA polymerase and RNA/DNA hybrid backtracked recognition.BPPred: a Web-based computational tool for predicting biophysical parameters of proteins.Fast protein folding on downhill energy landscapeCharacterization of the free-energy landscapes of proteins by NMR-guided metadynamicsDynameomics: a consensus view of the protein unfolding/folding transition state ensemble across a diverse set of protein folds.Improvement of structure-based potentials for protein folding by native and nonnative hydrogen bonds.Characterisation of transition state structures for protein folding using 'high', 'medium' and 'low' {Phi}-values.Kinetic definition of protein folding transition state ensembles and reaction coordinatesMechanism of Inhibition of Hsp90 Dimerization by Gyrase B Inhibitor Coumermycin A1 (C-A1) Revealed by Molecular Dynamics Simulations and Thermodynamic Calculations.Hydration of the folding transition state ensemble of a protein.Dynamic features of apo and bound HIV-Nef protein reveal the anti-HIV dimerization inhibition mechanism.Binding induced folding in p53-MDM2 complex.Enhanced sampling of molecular dynamics simulation of peptides and proteins by double coupling to thermal bath.Free energy landscapes of a highly structured beta-hairpin peptide and its single mutant.Identification of simple reaction coordinates from complex dynamics.
P2860
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P2860
Molecular dynamics simulations of protein folding from the transition state.
description
2002 nî lūn-bûn
@nan
2002 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2002 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2002年の論文
@ja
2002年論文
@yue
2002年論文
@zh-hant
2002年論文
@zh-hk
2002年論文
@zh-mo
2002年論文
@zh-tw
2002年论文
@wuu
name
Molecular dynamics simulations of protein folding from the transition state.
@ast
Molecular dynamics simulations of protein folding from the transition state.
@en
type
label
Molecular dynamics simulations of protein folding from the transition state.
@ast
Molecular dynamics simulations of protein folding from the transition state.
@en
prefLabel
Molecular dynamics simulations of protein folding from the transition state.
@ast
Molecular dynamics simulations of protein folding from the transition state.
@en
P2860
P356
P1476
Molecular dynamics simulations of protein folding from the transition state.
@en
P2093
Amedeo Caflisch
Jörg Gsponer
P2860
P304
P356
10.1073/PNAS.092686399
P407
P577
2002-04-30T00:00:00Z