Nonequilibrium umbrella sampling in spaces of many order parameters.
about
Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string methodGeneralized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD.Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics.Sampling rare events in nonequilibrium and nonstationary systems.Finding Chemical Reaction Paths with a Multilevel Preconditioning Protocol.Coupled folding and binding with 2D Window-Exchange Umbrella Sampling.Perspective: Computer simulations of long time dynamicsSimulating rare events using a weighted ensemble-based string method.The "weighted ensemble" path sampling method is statistically exact for a broad class of stochastic processes and binning procedures.WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithm.Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit.Milestoning without a Reaction CoordinateSimultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories.Efficient stochastic simulation of chemical kinetics networks using a weighted ensemble of trajectories.DNA-Binding Kinetics Determines the Mechanism of Noise-Induced Switching in Gene NetworksSteady-state simulations using weighted ensemble path sampling.An adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates.Exact milestoning.Heterogeneous path ensembles for conformational transitions in semi-atomistic models of adenylate kinase.Milestoning with coarse memory.Transition path sampling for discrete master equations with absorbing states.Markovian milestoning with Voronoi tessellations.Rare-event sampling for driven inertial systems via the nonequilibrium distribution function.Computation of transit times using the milestoning method with applications to polymer translocation.Energetics of Glutamate Binding to an Ionotropic Glutamate Receptor.Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations.Steady-state simulation of metastable stochastic chemical systems.Steered transition path sampling.Simultaneous estimation of free energies and rates using forward flux sampling and mean first passage times.Exact rate calculations by trajectory parallelization and tilting.Rare-event sampling of epigenetic landscapes and phenotype transitions
P2860
Q33655613-3222DCA6-08C4-48C6-90E4-4A97AB931BBDQ33763745-7CFB367D-892B-40F6-BE6F-0C342DD36A6CQ33883247-F64DBA3B-A570-4084-94E6-1472C1B7D18AQ34157179-C86D1DAF-EC0A-4238-911E-29401D636597Q34680450-250A8D8F-0C65-439C-A948-1F08DD16E02EQ36553939-473DDB07-24B6-4FEE-BD9A-832FF483046BQ36576952-0F9821D5-6C46-439B-9051-FF429BD31183Q36597432-37A66A2F-7FFC-4A30-8C92-7EB2378BCE88Q39337174-F9832867-3628-44AB-B7E6-B5CB5641BC36Q39825374-BE952750-7008-43E4-919A-FB2D5E7D9854Q40958993-32AFA1A1-2DC2-4577-A957-46E355AA1E22Q41488434-E3599B07-6EDF-47A5-BDCA-B5B7D412C886Q41888581-17BFA43F-3142-406E-885C-A9E7D3A7067DQ41898830-96837EF0-0234-444C-B509-640793306D52Q42100326-91B43577-3371-4FA1-A8A8-566660A12301Q42121147-359750D0-56A0-433B-896B-2B7918914128Q42556803-2DFC246B-D005-4866-9943-0D302CE6EFB3Q42557739-0A5D7D7A-8795-4FDF-B4C7-DC0E2329E7D9Q42746630-D88201A7-01F3-4866-8C87-EAA0CCF42FCDQ44026853-2CB4C9E6-195D-419A-8DE9-56EB9A1385BFQ44846471-670C47A7-42EE-449F-8BFD-60DB76859983Q44998812-9846D395-F8EC-4F3F-B1BC-0466565088F9Q45874648-412D0CED-2F86-4757-9B1A-D1BB0C4B3F6CQ46099451-7A57A2B6-15ED-4FD0-91F2-05042E3A88B8Q47110210-963E40CC-64A1-4082-BD4F-E11D081733B4Q51085225-D8F9456A-9AB1-47CE-B423-FD3DACF690B2Q51217273-B6104801-D8C8-468C-AB99-5D820471E100Q51345444-10A33D6B-7697-428D-8815-C6C6344B94EEQ51579553-BDE06B42-8335-4112-98DC-297EE1039755Q51805584-E799AB62-AAF1-45A7-8C59-099485F3FB49Q58801218-BE4852C3-20B1-4DDF-9AD9-C470AD061C5D
P2860
Nonequilibrium umbrella sampling in spaces of many order parameters.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh-hant
name
Nonequilibrium umbrella sampling in spaces of many order parameters.
@en
Nonequilibrium umbrella sampling in spaces of many order parameters.
@nl
type
label
Nonequilibrium umbrella sampling in spaces of many order parameters.
@en
Nonequilibrium umbrella sampling in spaces of many order parameters.
@nl
prefLabel
Nonequilibrium umbrella sampling in spaces of many order parameters.
@en
Nonequilibrium umbrella sampling in spaces of many order parameters.
@nl
P2860
P356
P1476
Nonequilibrium umbrella sampling in spaces of many order parameters.
@en
P2093
Aaron R Dinner
P2860
P304
P356
10.1063/1.3070677
P407
P577
2009-02-01T00:00:00Z