Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
about
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsThe Trp-cage: optimizing the stability of a globular miniproteinCrystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold predictionUnfavorable Electrostatic and Steric Interactions in DNA Polymerase β E295K Mutant Interfere with the Enzyme’s PathwayImprovement of the treatment of loop structures in the UNRES force field by inclusion of coupling between backbone- and side-chain-local conformational states.Protein structure prediction: assembly of secondary structure elements by basin-hopping.Proteins in binary solventsProtein structure prediction using global optimization by basin-hopping with NMR shift restraints.Dynamical reweighting: improved estimates of dynamical properties from simulations at multiple temperatures.Characterization of the protein unfolding processes induced by urea and temperatureHigh resolution approach to the native state ensemble kinetics and thermodynamics.Atomic-resolution simulations predict a transition state for vesicle fusion defined by contact of a few lipid tails.Protonation/deprotonation effects on the stability of the Trp-cage miniprotein.Enhanced sampling and applications in protein folding in explicit solvent.Recent developments in methods for identifying reaction coordinates.Folding dynamics and pathways of the trp-cage miniproteins.Free-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differencesChallenges in protein folding simulations: Timescale, representation, and analysisKinetic network study of the diversity and temperature dependence of Trp-Cage folding pathways: combining transition path theory with stochastic simulations.Role of tryptophan side chain dynamics on the Trp-cage mini-protein folding studied by molecular dynamics simulations.Dependence of internal friction on folding mechanism.Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation.Tuning the Attempt Frequency of Protein Folding Dynamics via Transition-State Rigidification: Application to Trp-Cage.Accelerated molecular dynamics simulations of protein folding.Achieving secondary structural resolution in kinetic measurements of protein folding: a case study of the folding mechanism of Trp-cage.Reaction coordinate of an enzymatic reaction revealed by transition path sampling.Water pulls the strings in hydrophobic polymer collapse.Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage miniprotein.Activation mechanism of a signaling protein at atomic resolution from advanced computationsComputing the stability diagram of the Trp-cage miniproteinDynamic folding pathway models of the Trp-cage proteinComputational investigation of cold denaturation in the Trp-cage miniprotein.Characterization of folding mechanisms of Trp-cage and WW-domain by network analysis of simulations with a hybrid-resolution modelStructure and dynamics of the N-terminal domain of the Cu(I) binding protein CusB.Using D-Amino Acids to Delineate the Mechanism of Protein Folding: Application to Trp-cage.Common structural transitions in explicit-solvent simulations of villin headpiece foldingAssessment of local friction in protein folding dynamics using a helix cross-linker.The loop hypothesis: contribution of early formed specific non-local interactions to the determination of protein folding pathways.Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness.Correlation analysis for heat denaturation of Trp-cage miniprotein with explicit solvent.
P2860
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P2860
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
description
2006 nî lūn-bûn
@nan
2006 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
name
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
@ast
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
@en
type
label
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
@ast
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
@en
prefLabel
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
@ast
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
@en
P2860
P356
P1476
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
@en
P2093
P G Bolhuis
P2860
P304
15859-15864
P356
10.1073/PNAS.0606692103
P407
P577
2006-10-11T00:00:00Z