Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
about
Everything you wanted to know about Markov State Models but were afraid to askThe protein folding problemUsing Markov state models to study self-assemblyStatistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states.Rapid equilibrium sampling initiated from nonequilibrium dataReactive flux and folding pathways in network models of coarse-grained protein dynamics.Network models for molecular kinetics and their initial applications to human healthMultidomain assembled states of Hck tyrosine kinase in solution.Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitionsBuilding Markov state models with solvent dynamics.Insights into the dynamics of HIV-1 protease: a kinetic network model constructed from atomistic simulations.Optimal Dimensionality Reduction of Multistate Kinetic and Markov-State Models.Mapping the Dynamics Landscape of Conformational Transitions in Enzyme: The Adenylate Kinase Case.Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty.Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectoriesNMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulationsHow hydrophobic drying forces impact the kinetics of molecular recognition.Building Markov state models along pathways to determine free energies and rates of transitionsMultiensemble Markov models of molecular thermodynamics and kinetics.Using generalized ensemble simulations and Markov state models to identify conformational statesGenerative models of conformational dynamics.Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.Dynamics of pyrophosphate ion release and its coupled trigger loop motion from closed to open state in RNA polymerase II.Dynamic colloidal assembly pathways via low dimensional models.Progress and challenges in the automated construction of Markov state models for full protein systems.Estimation and uncertainty of reversible Markov models.Constructing multi-resolution Markov State Models (MSMs) to elucidate RNA hairpin folding mechanismsProtein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models.Combination of Markov state models and kinetic networks for the analysis of molecular dynamics simulations of peptide folding.Bayesian comparison of Markov models of molecular dynamics with detailed balance constraint.Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models.Probability distributions of molecular observables computed from Markov models. II. Uncertainties in observables and their time-evolution.Identification of slow molecular order parameters for Markov model construction.Validation of Markov state models using Shannon's entropy.A Bayesian method for construction of Markov models to describe dynamics on various time-scales.Calculation of the distribution of eigenvalues and eigenvectors in Markovian state models for molecular dynamics.Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics.Peptide dimerization-dissociation rates from replica exchange molecular dynamics.Properties of low-dimensional collective variables in the molecular dynamics of biopolymers.Dimensional reduction of Markov state models from renormalization group theory.
P2860
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P2860
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
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
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
@en
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
@nl
type
label
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
@en
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
@nl
prefLabel
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
@en
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
@nl
P356
P1476
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations.
@en
P2093
Ioannis G Kevrekidis
Saravanapriyan Sriraman
P304
P356
10.1021/JP046448U
P407
P577
2005-04-01T00:00:00Z