Rate constants for diffusive processes by partial path sampling.
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Specificity and completion time distributions of biochemical processesUsing Markov state models to study self-assemblyMOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU systemMolecular dynamics: survey of methods for simulating the activity of proteins.Perspective: Computer simulations of long time dynamicsThe allosteric switching mechanism in bacteriophage MS2.Building Markov state models along pathways to determine free energies and rates of transitionsAccurate Estimation of Protein Folding and Unfolding Times: Beyond Markov State Models.Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses.Kinetic pathways of beta-hairpin (un)folding in explicit solvent.Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble.Milestoning without a Reaction CoordinateRevisiting and computing reaction coordinates with Directional Milestoning.Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories.An experimentally guided umbrella sampling protocol for biomoleculesKinetics of helix unfolding: molecular dynamics simulations with milestoning.Experiments and comprehensive simulations of the formation of a helical turnExact milestoning.A MATHEMATICAL FRAMEWORK FOR EXACT MILESTONING.Reaction coordinates for the flipping of genetic switches.On the assumptions underlying milestoning.Milestoning with coarse memory.Transition path sampling for discrete master equations with absorbing states.Computation of transit times using the milestoning method with applications to polymer translocation.Numerical tests of nucleation theories for the Ising models.Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory.Temperature accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables.Directionally negative friction: a method for enhanced sampling of rare event kinetics.A new paradigm for atomically detailed simulations of kinetics in biophysical systems.Foundations and latest advances in replica exchange transition interface sampling.Improved transition path sampling methods for simulation of rare events.Markov state modeling and dynamical coarse-graining via discrete relaxation path sampling.Milestoning with transition memory.Efficient calculation of rate constants: downhill versus uphill sampling.Obtaining reaction coordinates by likelihood maximization.Simultaneous computation of free energies and kinetics of rare events.New shooting algorithms for transition path sampling: centering moves and varied-perturbation sizes for improved sampling.Multiscale enhanced path sampling based on the Onsager-Machlup action: application to a model polymer.Exact rate calculations by trajectory parallelization and tilting.Nonequilibrium umbrella sampling in spaces of many order parameters.
P2860
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P2860
Rate constants for diffusive processes by partial path sampling.
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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2004年学术文章
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2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
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2004年學術文章
@zh-hant
name
Rate constants for diffusive processes by partial path sampling.
@en
Rate constants for diffusive processes by partial path sampling.
@nl
type
label
Rate constants for diffusive processes by partial path sampling.
@en
Rate constants for diffusive processes by partial path sampling.
@nl
prefLabel
Rate constants for diffusive processes by partial path sampling.
@en
Rate constants for diffusive processes by partial path sampling.
@nl
P2860
P356
P1476
Rate constants for diffusive processes by partial path sampling
@en
P2093
Daniele Moroni
Peter G Bolhuis
P2860
P304
P356
10.1063/1.1644537
P407
P577
2004-03-01T00:00:00Z
P5875
P698
P818
cond-mat/0310466