Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulations
about
Amyloid beta-protein monomer folding: free-energy surfaces reveal alloform-specific differencesThe protein folding problemImplicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.A test on peptide stability of AMBER force fields with implicit solvationBlind test of physics-based prediction of protein structures.Partial unfolding and refolding for structure refinement: A unified approach of geometric simulations and molecular dynamics.Trends in template/fragment-free protein structure predictionMicroscopic analysis of protein oxidative damage: effect of carbonylation on structure, dynamics, and aggregability of villin headpieceElucidation of the Aggregation Pathways of Helix-Turn-Helix Peptides: Stabilization at the Turn Region Is Critical for Fibril Formation.Characterizing a partially ordered miniprotein through folding molecular dynamics simulations: Comparison with the experimental data.Quantitative determination of site-specific conformational distributions in an unfolded protein by solid-state nuclear magnetic resonance.Detection of a transient intermediate in a rapid protein folding process by solid-state nuclear magnetic resonanceMultiscale coarse-graining of the protein energy landscapeAn unlocking/relocking barrier in conformational fluctuations of villin headpiece subdomainDynamics of the folded and unfolded villin headpiece (HP35) measured with ultrafast 2D IR vibrational echo spectroscopy.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.Quantifying the Sources of Kinetic Frustration in Folding Simulations of Small Proteins.Validating clustering of molecular dynamics simulations using polymer modelsCombining optimal control theory and molecular dynamics for protein folding.Molecular dynamics-based approaches for enhanced sampling of long-time, large-scale conformational changes in biomolecules.Quantitative comparison of villin headpiece subdomain simulations and triplet-triplet energy transfer experimentsFolding network of villin headpiece subdomain.Enhancing the affinity of SEB-binding peptides by repeating their sequence.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 analysisHeterogeneity even at the speed limit of folding: large-scale molecular dynamics study of a fast-folding variant of the villin headpieceThe protein folding network indicates that the ultrafast folding mutant of villin headpiece subdomain has a deeper folding funnelLow folding cooperativity of HP35 revealed by single-molecule force spectroscopy and molecular dynamics simulationDiscrete molecular dynamics: an efficient and versatile simulation method for fine protein characterization.Computational evidence that fast translation speed can increase the probability of cotranslational protein folding.Native state conformational heterogeneity of HP35 revealed by time-resolved FRET.Thermally induced protein unfolding probed by isotope-edited IR spectroscopy.Folding domain B of protein A on a dynamically partitioned free energy landscape.Characterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and ExperimentRecent advances in implicit solvent-based methods for biomolecular simulationsUse of decoys to optimize an all-atom force field including hydration.Ab initio folding of proteins with all-atom discrete molecular dynamics.The Folding of de Novo Designed Protein DS119 via Molecular Dynamics SimulationsStudy on the Application of the Combination of TMD Simulation and Umbrella Sampling in PMF Calculation for Molecular Conformational Transitions.
P2860
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P2860
Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulations
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
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
2007年论文
@zh
2007年论文
@zh-cn
name
Folding free-energy landscape ...... molecular dynamics simulations
@ast
Folding free-energy landscape ...... molecular dynamics simulations
@en
type
label
Folding free-energy landscape ...... molecular dynamics simulations
@ast
Folding free-energy landscape ...... molecular dynamics simulations
@en
prefLabel
Folding free-energy landscape ...... molecular dynamics simulations
@ast
Folding free-energy landscape ...... molecular dynamics simulations
@en
P2093
P2860
P356
P1476
Folding free-energy landscape ...... molecular dynamics simulations
@en
P2093
Haiguang Liu
Hongxing Lei
P2860
P304
P356
10.1073/PNAS.0608432104
P407
P50
P577
2007-03-12T00:00:00Z