Heterogeneity even at the speed limit of folding: large-scale molecular dynamics study of a fast-folding variant of the villin headpiece
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Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulationsEverything you wanted to know about Markov State Models but were afraid to askTaming the complexity of protein foldingMolecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)Markov state model reveals folding and functional dynamics in ultra-long MD trajectoriesAccelerating molecular dynamic simulation on graphics processing unitsRecent advances in QM/MM free energy calculations using reference potentialsToward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data ArchiveStructuprint: a scalable and extensible tool for two-dimensional representation of protein surfaces.When fast is better: protein folding fundamentals and mechanisms from ultrafast approachesEquilibrium sampling in biomolecular simulationsQuantitative comparison of alternative methods for coarse-graining biological networksEvolution, energy landscapes and the paradoxes of protein folding.Enhanced modeling via network theory: Adaptive sampling of Markov state models.Characterizing a partially ordered miniprotein through folding molecular dynamics simulations: Comparison with the experimental data.Combining experiment and simulation in protein folding: closing the gap for small model systems.Detection of a transient intermediate in a rapid protein folding process by solid-state nuclear magnetic resonanceGoing beyond clustering in MD trajectory analysis: an application to villin headpiece folding.The folding transition-state ensemble of a four-helix bundle protein: helix propensity as a determinant and macromolecular crowding as a probe.Markov dynamic models for long-timescale protein motionProtein folded states are kinetic hubs.Enhanced sampling and applications in protein folding in explicit solvent.Tackling force-field bias in protein folding simulations: folding of Villin HP35 and Pin WW domains in explicit water.Quantitative comparison of villin headpiece subdomain simulations and triplet-triplet energy transfer experimentsStudying functional dynamics in bio-molecules using accelerated molecular dynamics.Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations.Using an amino acid fluorescence resonance energy transfer pair to probe protein unfolding: application to the villin headpiece subdomain and the LysM domain.Challenges in protein folding simulations: Timescale, representation, and analysisDisorder in cholesterol-binding functionality of CRAC peptides: a molecular dynamics study.Making connections between ultrafast protein folding kinetics and molecular dynamics simulations.Accelerated molecular dynamics simulations of protein folding.Folding helical proteins in explicit solvent using dihedral-biased tempering.Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formationTemperature dependence of water interactions with the amide carbonyls of α-helices.Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty.Simple few-state models reveal hidden complexity in protein folding.Protein folding kinetics and thermodynamics from atomistic simulationMicrosecond folding experiments and simulations: a match is made.Rational modification of protein stability by targeting surface sites leads to complicated resultsForce field bias in protein folding simulations
P2860
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P2860
Heterogeneity even at the speed limit of folding: large-scale molecular dynamics study of a fast-folding variant of the villin headpiece
description
2007 nî lūn-bûn
@nan
2007 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2007年の論文
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2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Heterogeneity even at the spee ...... ariant of the villin headpiece
@ast
Heterogeneity even at the spee ...... ariant of the villin headpiece
@en
Heterogeneity even at the spee ...... ariant of the villin headpiece
@nl
type
label
Heterogeneity even at the spee ...... ariant of the villin headpiece
@ast
Heterogeneity even at the spee ...... ariant of the villin headpiece
@en
Heterogeneity even at the spee ...... ariant of the villin headpiece
@nl
prefLabel
Heterogeneity even at the spee ...... ariant of the villin headpiece
@ast
Heterogeneity even at the spee ...... ariant of the villin headpiece
@en
Heterogeneity even at the spee ...... ariant of the villin headpiece
@nl
P2093
P2860
P1476
Heterogeneity even at the spee ...... ariant of the villin headpiece
@en
P2093
Daniel L Ensign
Peter M Kasson
Vijay S Pande
P2860
P304
P356
10.1016/J.JMB.2007.09.069
P407
P577
2007-09-29T00:00:00Z