Rate constant and reaction coordinate of Trp-cage folding in explicit water.
about
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsConformational selection in protein binding and functionCircular permutation of the Trp-cage: fold rescue upon addition of a hydrophobic stapleEnzymatic transition states and dynamic motion in barrier crossing.Estimating diffusivity along a reaction coordinate in the high friction limit: Insights on pulse times in laser-induced nucleation.Predicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow proteinProtonation/deprotonation effects on the stability of the Trp-cage miniprotein.Recent developments in methods for identifying reaction coordinates.Challenges 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.Tuning the Attempt Frequency of Protein Folding Dynamics via Transition-State Rigidification: Application to Trp-Cage.Folding helical proteins in explicit solvent using dihedral-biased tempering.Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage miniprotein.Perspective: Computer simulations of long time dynamicsInfrared and Fluorescence Assessment of Protein Dynamics: From Folding to Function.How kinetics within the unfolded state affects protein folding: an analysis based on markov state models and an ultra-long MD trajectoryInsights from coarse-grained Gō models for protein folding and dynamics.Assessment of local friction in protein folding dynamics using a helix cross-linker.Path-sampling strategies for simulating rare events in biomolecular systems.Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness.Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent.Topological frustration in beta alpha-repeat proteins: sequence diversity modulates the conserved folding mechanisms of alpha/beta/alpha sandwich proteins.Itinerary profiling to analyze a large number of protein-folding trajectories.A kMC-MD method with generalized move-sets for the simulation of folding of α-helical and β-stranded peptides.Milestoning without a Reaction CoordinateRevisiting and computing reaction coordinates with Directional Milestoning.(Un)Folding mechanisms of the FBP28 WW domain in explicit solvent revealed by multiple rare event simulation methods.Probing the nanosecond dynamics of a designed three-stranded beta-sheet with a massively parallel molecular dynamics simulation.Efficiently refining a transition path using clusteringHeterogeneous path ensembles for conformational transitions in semi-atomistic models of adenylate kinase.Optimal salt bridge for Trp-cage stabilization.Transition path sampling for discrete master equations with absorbing states.Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol.A hybrid MD-kMC algorithm for folding proteins in explicit solvent.Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation.Transition path sampling of rare events by shooting from the top.An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregation.Stability and growth mechanism of self-assembling putative antifreeze cyclic peptides.A one-way shooting algorithm for transition path sampling of asymmetric barriers.Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models.
P2860
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P2860
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
@en
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
@nl
type
label
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
@en
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
@nl
prefLabel
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
@en
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
@nl
P2860
P1433
P1476
Rate constant and reaction coordinate of Trp-cage folding in explicit water.
@en
P2093
Peter G Bolhuis
P2860
P304
P356
10.1529/BIOPHYSJ.108.136267
P407
P577
2008-08-01T00:00:00Z