Exact rate calculations by trajectory parallelization and tilting.
about
Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string methodKinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics.Kinetic network study of the diversity and temperature dependence of Trp-Cage folding pathways: combining transition path theory with stochastic simulations.Perspective: Computer simulations of long time dynamicsSimulating rare events using a weighted ensemble-based string method.Path-sampling strategies for simulating rare events in biomolecular systems.Weighted Ensemble Simulation: Review of Methodology, Applications, and Software.Accurate Estimation of Protein Folding and Unfolding Times: Beyond Markov State Models.Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses.Markovian and Non-Markovian Modeling of Membrane Dynamics with Milestoning.Milestoning without a Reaction CoordinateBeyond microscopic reversibility: Are observable non-equilibrium processes precisely reversible?Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories.Steady-state simulations using weighted ensemble path sampling.An adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates.Exact milestoning.A MATHEMATICAL FRAMEWORK FOR EXACT MILESTONING.Heterogeneous path ensembles for conformational transitions in semi-atomistic models of adenylate kinase.Milestoning with coarse memory.Automated placement of interfaces in conformational kinetics calculations using machine learning.Computation of transit times using the milestoning method with applications to polymer translocation.A new paradigm for atomically detailed simulations of kinetics in biophysical systems.Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExplore.Rare switching events in non-stationary systems.Steered transition path sampling.Time Integrators for Molecular Dynamics
P2860
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P2860
Exact rate calculations by trajectory parallelization and tilting.
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
@zh-cn
2009年学术文章
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2009年学术文章
@zh-my
2009年学术文章
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2009年學術文章
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2009年學術文章
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name
Exact rate calculations by trajectory parallelization and tilting.
@en
Exact rate calculations by trajectory parallelization and tilting.
@nl
type
label
Exact rate calculations by trajectory parallelization and tilting.
@en
Exact rate calculations by trajectory parallelization and tilting.
@nl
prefLabel
Exact rate calculations by trajectory parallelization and tilting.
@en
Exact rate calculations by trajectory parallelization and tilting.
@nl
P2860
P356
P1476
Exact rate calculations by trajectory parallelization and tilting.
@en
P2093
Maddalena Venturoli
P2860
P304
P356
10.1063/1.3180821
P407
P577
2009-07-01T00:00:00Z