Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states.
about
Bridge helix bending promotes RNA polymerase II backtracking through a critical and conserved threonine residueAnalytical methods for structural ensembles and dynamics of intrinsically disordered proteinsLocally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation.A Stochastic Solution to the Unbinned WHAM Equations.Multiensemble Markov models of molecular thermodynamics and kinetics.QM/MM free energy simulations: recent progress and challengesTransition path theory analysis of c-Src kinase activationComputational Membrane Biophysics: From Ion Channels Interactions with Drugs to Cellular Function.Combining experimental and simulation data of molecular processes via augmented Markov models.Elucidation of the conformational dynamics of multi-body systems by construction of Markov state models.Estimation and uncertainty of reversible Markov models.Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models.Protein-peptide association kinetics beyond the seconds timescale from atomistic simulationsVAMPnets for deep learning of molecular kinetics.An efficient multi-scale Green's function reaction dynamics scheme.Stratified UWHAM and Its Stochastic Approximation for Multicanonical Simulations Which Are Far from Equilibrium.Girsanov reweighting for path ensembles and Markov state models.Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states.Folding a viral peptide in different membrane environments: pathway and sampling analyses.Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo.Constructing Markov State Models to elucidate the functional conformational changes of complex biomolecules
P2860
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P2860
Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states.
description
2014 nî lūn-bûn
@nan
2014 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Statistically optimal analysis ...... multiple thermodynamic states.
@ast
Statistically optimal analysis ...... multiple thermodynamic states.
@en
type
label
Statistically optimal analysis ...... multiple thermodynamic states.
@ast
Statistically optimal analysis ...... multiple thermodynamic states.
@en
prefLabel
Statistically optimal analysis ...... multiple thermodynamic states.
@ast
Statistically optimal analysis ...... multiple thermodynamic states.
@en
P2860
P356
P1476
Statistically optimal analysis ...... multiple thermodynamic states.
@en
P2093
P2860
P304
P356
10.1063/1.4902240
P407
P577
2014-12-01T00:00:00Z