Extensions to the likelihood maximization approach for finding reaction coordinates.
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A two-step nucleotide-flipping mechanism enables kinetic discrimination of DNA lesions by AGTEstimating diffusivity along a reaction coordinate in the high friction limit: Insights on pulse times in laser-induced nucleation.Predicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow proteinCatching a protein in the act.Recent developments in methods for identifying reaction coordinates.An experimental and computational investigation of spontaneous lasso formation in microcin J25.Toward Identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method.Reaction mechanism and reaction coordinates from the viewpoint of energy flowThe stochastic separatrix and the reaction coordinate for complex systems.Protein dynamics and the enzymatic reaction coordinate.Protein dynamics and enzymatic chemical barrier passage.Calculating Iso-Committor Surfaces as Optimal Reaction Coordinates with MilestoningResponse to Comment on "Towards identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method" by D. Antoniou and S. Schwartz, J. Phys. Chem. B. 115, 2465-2469 (2011).Communication: an existence test for dividing surfaces without recrossing.Revisiting and computing reaction coordinates with Directional Milestoning.Elucidating the locking mechanism of peptides onto growing amyloid fibrils through transition path sampling.Experiments and comprehensive simulations of the formation of a helical turnA benchmark for reaction coordinates in the transition path ensembleReducing the cost of evaluating the committor by a fitting procedure.Rate constant and reaction coordinate of Trp-cage folding in explicit water.On the coupling between slow diffusion transport and barrier crossing in nucleation.Transition path sampling for discrete master equations with absorbing states.Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency.Limit of validity of Ostwald's rule of stages in a statistical mechanical model of crystallization.Role of stacking disorder in ice nucleation.Competing nucleation pathways in a mixture of oppositely charged colloids: out-of-equilibrium nucleation revisited.Interplay of non-Markov and internal friction effects in the barrier crossing kinetics of biopolymers: insights from an analytically solvable model.Pre-ordering of interfacial water in the pathway of heterogeneous ice nucleation does not lead to a two-step crystallization mechanism.Rock climbing: A local-global algorithm to compute minimum energy and minimum free energy pathways.Foundations and latest advances in replica exchange transition interface sampling.Identification of simple reaction coordinates from complex dynamics.Steady-state nucleation rate and flux of composite nucleus at saddle point.Bézier curve string method for the study of rare events in complex chemical systems.Network approach to identify the folding transition states of peptides and proteins.Optimizing transition interface sampling simulations.Nonlinear reaction coordinate analysis in the reweighted path ensemble.The reweighted path ensemble.New shooting algorithms for transition path sampling: centering moves and varied-perturbation sizes for improved sampling.Nonequilibrium umbrella sampling in spaces of many order parameters.Homogeneous nucleation under shear in a two-dimensional Ising model: cluster growth, coalescence, and breakup.
P2860
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P2860
Extensions to the likelihood maximization approach for finding reaction coordinates.
description
2007 nî lūn-bûn
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2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
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name
Extensions to the likelihood maximization approach for finding reaction coordinates.
@en
Extensions to the likelihood maximization approach for finding reaction coordinates.
@nl
type
label
Extensions to the likelihood maximization approach for finding reaction coordinates.
@en
Extensions to the likelihood maximization approach for finding reaction coordinates.
@nl
prefLabel
Extensions to the likelihood maximization approach for finding reaction coordinates.
@en
Extensions to the likelihood maximization approach for finding reaction coordinates.
@nl
P2093
P2860
P356
P1476
Extensions to the likelihood maximization approach for finding reaction coordinates.
@en
P2093
Baron Peters
Bernhardt L Trout
Gregg T Beckham
P2860
P304
P356
10.1063/1.2748396
P407
P577
2007-07-01T00:00:00Z