Optimizing the sampling and staging for simulations of rare events via forward flux sampling schemes.
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Kinetics and reaction coordinates of the reassembly of protein fragments via forward flux sampling.Molecular dynamics-based approaches for enhanced sampling of long-time, large-scale conformational changes in biomolecules.Evaporation rate of water in hydrophobic confinementBiomolecularmodeling and simulation: a field coming of age.The "weighted ensemble" path sampling method is statistically exact for a broad class of stochastic processes and binning procedures.Automatic, optimized interface placement in forward flux sampling simulations.Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol.Numerical tests of nucleation theories for the Ising models.Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier.Optimizing transition interface sampling simulations.Simultaneous estimation of free energies and rates using forward flux sampling and mean first passage times.Computation of nucleation at a nonequilibrium first-order phase transition using a rare-event algorithm.Overcoming barriers in trajectory space: mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling.Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations.Lattice model of oligonucleotide hybridization in solution. I. Model and thermodynamics.
P2860
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P2860
Optimizing the sampling and staging for simulations of rare events via forward flux sampling schemes.
description
2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年學術文章
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name
Optimizing the sampling and st ...... forward flux sampling schemes.
@en
Optimizing the sampling and st ...... forward flux sampling schemes.
@nl
type
label
Optimizing the sampling and st ...... forward flux sampling schemes.
@en
Optimizing the sampling and st ...... forward flux sampling schemes.
@nl
prefLabel
Optimizing the sampling and st ...... forward flux sampling schemes.
@en
Optimizing the sampling and st ...... forward flux sampling schemes.
@nl
P2860
P356
P1476
Optimizing the sampling and st ...... forward flux sampling schemes.
@en
P2093
Ernesto E Borrero
Fernando A Escobedo
P2860
P304
P356
10.1063/1.2953325
P407
P577
2008-07-01T00:00:00Z