about
Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A ReviewMinimum free energy path of ligand-induced transition in adenylate kinaseInvestigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string methodPredicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow proteinFree energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentials.Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics.Oxygen Pathways and Allostery in Monomeric Sarcosine Oxidase via Single-Sweep Free-Energy ReconstructionFull kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations.Free energy of conformational transition paths in biomolecules: the string method and its application to myosin VI.Mechanism of substrate translocation by a ring-shaped ATPase motor at millisecond resolutionA conformational transition in the myosin VI converter contributes to the variable step size.Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning.Simulations of thermodynamics and kinetics on rough energy landscapes with milestoning.Perspective: Computer simulations of long time dynamicsTransition path theory analysis of c-Src kinase activationMultivalency as a chemical organization and action principle.Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulations.Set-free Markov state model building.Rate Constants and Mechanisms of Protein-Ligand Binding.WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithm.Insight into the molecular mechanism of water evaporation via the finite temperature string method.Markovian and Non-Markovian Modeling of Membrane Dynamics with Milestoning.Calculating Iso-Committor Surfaces as Optimal Reaction Coordinates with MilestoningMilestoning without a Reaction CoordinateAn automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis.Experiments and comprehensive simulations of the formation of a helical turnExact milestoning.Extracting the diffusion tensor from molecular dynamics simulation with Milestoning.On the assumptions underlying milestoning.Relaxation of Voronoi shells in hydrated molecular ionic liquids.Milestoning with coarse memory.Nano-pipette directed transport of nanotube transmembrane channels and hybrid vesicles.Peptide kinetics from picoseconds to microseconds using boxed molecular dynamics: power law rate coefficients in cyclisation reactions.Molecular simulation of homogeneous nucleation of crystals of an ionic liquid from the melt.A general method for molecular modeling of nucleation from the melt.Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface.Revisiting the finite temperature string method for the calculation of reaction tubes and free energies.Computation of transit times using the milestoning method with applications to polymer translocation.Exact dynamical coarse-graining without time-scale separation.Energetics of Glutamate Binding to an Ionotropic Glutamate Receptor.
P2860
Q26782827-528116E7-8CAF-439D-BC93-8DBDE235419CQ27330358-ADD59EC2-706D-4219-866D-9AFE50B7E3E9Q33655613-1467FB25-B24E-4D5C-B726-131E528BA8B6Q33664368-CE7C8C96-38F3-4B02-A137-62EBFA491057Q33758024-572717C6-8CF4-44B9-AE97-CFF39D2A0819Q33883247-08064D15-1BE7-4563-96B8-B60029B7695EQ33893619-63C91F10-F659-48C7-981E-90C11F450BCCQ33901963-72C9B87E-BAAD-4743-B658-B712B4BE0A3BQ34699313-B60F46B2-21AF-44CE-9EAB-070E4964A41DQ35372059-6E1F34A9-3A29-4351-8BED-5BABB7C1D268Q35556327-14F4CCEB-215B-4070-B2A5-A7C86DDF2BBFQ35822656-83CB2F0C-FF2A-4B7C-AD8F-819851B13441Q36568054-F4967A80-25F3-4667-9B12-DCC9D36954C3Q36576952-6E90984B-5099-49B3-B7D1-BFC9CC99CC6DQ37200101-321B8C23-F123-4610-8840-98DEB20BB638Q38041060-DCA956EF-C85E-418C-9826-93C96FF75A45Q38225090-442C0AD2-D8A6-4279-AC20-84F945E1D1E1Q38847954-AE118687-F74E-4C10-B842-A78E391E3E9DQ39219062-9A0D6B22-D046-4A49-B26F-8BF26C1D292FQ39825374-2C58D4B4-2878-481D-A46D-3DEED0B1B1ACQ39968017-53DCD96B-9154-4888-B455-C6A1798B2BF1Q40959407-6CD338F2-0C51-4612-9556-E7FEB56F582EQ41151246-E4033816-5C23-4EB4-A050-9AD7914B31BDQ41488434-FE5E01A4-DC5E-493F-BEB9-1964E8FF201AQ41664540-0D86876F-55AF-4E10-9D78-34049066EACFQ42178332-D203B167-A8C2-4900-9D17-9887DC4F7687Q42557739-A6E10CB6-2BDC-4AB4-B7B8-B7EA416F968EQ43098286-2B86BE1F-E2CB-4FFD-A4B9-3262AAEA4475Q43176529-B602A880-596C-4DAB-8292-AB367E73A29DQ43247069-FA0D3D87-1190-454F-9BE1-62FF9572955EQ44026853-A362A86F-9571-4C66-9DCE-DF262CBBBCD9Q44135368-5D534134-6306-4368-8C59-CD76D9E609EFQ44342388-D6DF3974-5FE5-446F-9FE1-D5CDF46D0ACEQ44860015-0090D466-B674-4290-BAB8-119B0281414DQ44860689-9369EE47-D234-4277-B8CE-C3CFA4E85A37Q44874635-2AC76DAE-280A-435E-BFD2-93248438D5F4Q45998116-EE764E3B-33F2-4959-80C6-894B1B101BC6Q46099451-0C4BC4E9-4B69-4420-8BA8-C9F0CED16F84Q46464597-36FFD558-1D1B-4D4C-A4CF-632F1493AD53Q47110210-7D041F2D-B8EB-4442-8F9F-C6404C7B2C44
P2860
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-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
2009年學術文章
@zh-hant
name
Markovian milestoning with Voronoi tessellations.
@en
Markovian milestoning with Voronoi tessellations.
@nl
type
label
Markovian milestoning with Voronoi tessellations.
@en
Markovian milestoning with Voronoi tessellations.
@nl
prefLabel
Markovian milestoning with Voronoi tessellations.
@en
Markovian milestoning with Voronoi tessellations.
@nl
P2860
P356
P1476
Markovian milestoning with Voronoi tessellations.
@en
P2093
Maddalena Venturoli
P2860
P304
P356
10.1063/1.3129843
P407
P577
2009-05-01T00:00:00Z