Automatic method for identifying reaction coordinates in complex systems.
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CHARMM: the biomolecular simulation programExploring the free energy landscape: from dynamics to networks and backA two-step nucleotide-flipping mechanism enables kinetic discrimination of DNA lesions by AGTCoupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II.Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive TrajectoriesMachine learning assembly landscapes from particle tracking data.Sampling the multiple folding mechanisms of Trp-cage in explicit solventAnalysis of the free-energy surface of proteins from reversible folding simulations.Estimating diffusivity along a reaction coordinate in the high friction limit: Insights on pulse times in laser-induced nucleation.Investigations 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 proteinCatching a protein in the act.Is protein folding sub-diffusive?Free energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentials.Reaction coordinates and rates from transition paths.Recent developments in methods for identifying reaction coordinates.Maximum Flux Transition Paths of Conformational ChangeAn experimental and computational investigation of spontaneous lasso formation in microcin J25.Recovering kinetics from a simplified protein folding model using replica exchange simulations: a kinetic network and effective stochastic dynamics.Building Markov state models with solvent dynamics.Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.Toward Identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method.Free energy of conformational transition paths in biomolecules: the string method and its application to myosin VI.Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reductionThe adaptive biasing force method: everything you always wanted to know but were afraid to askNonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation.Complex network analysis of free-energy landscapesA new perspective on transition states: χ1 separatrixReaction coordinate of an enzymatic reaction revealed by transition path sampling.Water pulls the strings in hydrophobic polymer collapse.Characterization of a dynamic string method for the construction of transition pathways in molecular reactionsBayesWHAM: A Bayesian approach for free energy estimation, reweighting, and uncertainty quantification in the weighted histogram analysis method.Toward the mechanism of ionic dissociation in waterPerspective: Computer simulations of long time dynamicsReaction mechanism and reaction coordinates from the viewpoint of energy flowSpectral gap optimization of order parameters for sampling complex molecular systemsDiffusive reaction dynamics on invariant free energy profiles.Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectoriesThe stochastic separatrix and the reaction coordinate for complex systems.Hidden Conformation Events in DNA Base Extrusions: A Generalized Ensemble Path Optimization and Equilibrium Simulation Study.
P2860
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P2860
Automatic method for identifying reaction coordinates in complex systems.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Automatic method for identifying reaction coordinates in complex systems.
@en
Automatic method for identifying reaction coordinates in complex systems.
@nl
type
label
Automatic method for identifying reaction coordinates in complex systems.
@en
Automatic method for identifying reaction coordinates in complex systems.
@nl
prefLabel
Automatic method for identifying reaction coordinates in complex systems.
@en
Automatic method for identifying reaction coordinates in complex systems.
@nl
P356
P1476
Automatic method for identifying reaction coordinates in complex systems.
@en
P2093
P304
P356
10.1021/JP045546C
P407
P577
2005-04-01T00:00:00Z