How well can simulation predict protein folding kinetics and thermodynamics?
about
Everything you wanted to know about Markov State Models but were afraid to askDesign of protein-ligand binding based on the molecular-mechanics energy modelHow fast does a signal propagate through proteins?Similarity and difference in the unfolding of thermophilic and mesophilic cold shock proteins studied by molecular dynamics simulationsP versus Q: structural reaction coordinates capture protein folding on smooth landscapes.Dynamics of lysozyme structure network: probing the process of unfoldingImplicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity.Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and thermodynamics.Geofold: topology-based protein unfolding pathways capture the effects of engineered disulfides on kinetic stability.Reliable protein folding on complex energy landscapes: the free energy reaction pathModeling the self-assembly of the cellulosome enzyme complex.Predicting peptide structures in native proteins from physical simulations of fragmentsEquilibrium sampling for biomolecules under mechanical tensionPredicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow proteinDimeric self-assembly of pyridyl guanidinium carboxylates in polar solvents.The folding transition-state ensemble of a four-helix bundle protein: helix propensity as a determinant and macromolecular crowding as a probe.Recovering kinetics from a simplified protein folding model using replica exchange simulations: a kinetic network and effective stochastic dynamics.Choreographing an enzyme's dance.An information theoretic approach to macromolecular modeling: II. Force fieldsSpeed of conformational change: comparing explicit and implicit solvent molecular dynamics simulationsProtein folding in a reverse micelle environment: the role of confinement and dehydrationPersistent voids: a new structural metric for membrane fusion.Heterogeneity even at the speed limit of folding: large-scale molecular dynamics study of a fast-folding variant of the villin headpieceProtein folding studied by single-molecule FRET.Computational design and experimental discovery of an antiestrogenic peptide derived from alpha-fetoproteinMaking connections between ultrafast protein folding kinetics and molecular dynamics simulations.A finite element framework for studying the mechanical response of macromolecules: application to the gating of the mechanosensitive channel MscL.Reaching the protein folding speed limit with large, sub-microsecond pressure jumps.Understanding ensemble protein folding at atomic detailNUMERICAL SIMULATION OF NANOINDENTATION AND PATCH CLAMP EXPERIMENTS ON MECHANOSENSITIVE CHANNELS OF LARGE CONDUCTANCE IN ESCHERICHIA COLIMultiple replica repulsion technique for efficient conformational sampling of biological systems.Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies.Dominant folding pathways of a WW domain.Protein folding under confinement: a role for solvent.Calculation of Host-Guest Binding Affinities Using a Quantum-Mechanical Energy Model.The physics of the interactions governing folding and association of proteins.Localizing internal friction along the reaction coordinate of protein folding by combining ensemble and single-molecule fluorescence spectroscopyEarly events in protein folding explored by rapid mixing methods.Gating mechanisms of mechanosensitive channels of large conductance, I: a continuum mechanics-based hierarchical framework.
P2860
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P2860
How well can simulation predict protein folding kinetics and thermodynamics?
description
2005 nî lūn-bûn
@nan
2005 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
How well can simulation predict protein folding kinetics and thermodynamics?
@ast
How well can simulation predict protein folding kinetics and thermodynamics?
@en
How well can simulation predict protein folding kinetics and thermodynamics?
@nl
type
label
How well can simulation predict protein folding kinetics and thermodynamics?
@ast
How well can simulation predict protein folding kinetics and thermodynamics?
@en
How well can simulation predict protein folding kinetics and thermodynamics?
@nl
prefLabel
How well can simulation predict protein folding kinetics and thermodynamics?
@ast
How well can simulation predict protein folding kinetics and thermodynamics?
@en
How well can simulation predict protein folding kinetics and thermodynamics?
@nl
P1476
How well can simulation predict protein folding kinetics and thermodynamics?
@en
P2093
Eric J Sorin
Vijay S Pande
P356
10.1146/ANNUREV.BIOPHYS.34.040204.144447
P577
2005-01-01T00:00:00Z