Probability distributions of molecular observables computed from Markov models.
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Everything you wanted to know about Markov State Models but were afraid to askMarkov state models of biomolecular conformational dynamicsA comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks.A network of molecular switches controls the activation of the two-component response regulator NtrC.Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states.Estimating the sampling error: distribution of transition matrices and functions of transition matrices for given trajectory data.Rapid equilibrium sampling initiated from nonequilibrium dataOptimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics.Network models for molecular kinetics and their initial applications to human healthQuantitative analysis of ligand migration from transition networksDirect observations of conformational distributions of intrinsically disordered p53 peptides using UV Raman and explicit solvent simulationsProtein folding is mechanistically robust.Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning.The molten globule state is unusually deformable under mechanical force.Limitations of constant-force-feedback experiments.Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty.Molecular simulations and Markov state modeling reveal the structural diversity and dynamics of a theophylline-binding RNA aptamer in its unbound stateMicrosecond folding experiments and simulations: a match is made.NMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulationsConstructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations.Combining experimental and simulation data of molecular processes via augmented Markov models.Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.Optimized parameter selection reveals trends in Markov state models for protein folding.Hidden Markov Modeling with Detailed Balance and Its Application to Single Protein Folding.Characterization and rapid sampling of protein folding Markov state model topologiesCommunication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information.Estimation and uncertainty of reversible Markov models.Probing antibody internal dynamics with fluorescence anisotropy and molecular dynamics simulationsModeling stochastic dynamics in biochemical systems with feedback using maximum caliber.Mechanisms of protein-ligand association and its modulation by protein mutations.The ribosome modulates nascent protein folding.Bayesian comparison of Markov models of molecular dynamics with detailed balance constraint.Maximum caliber inference of nonequilibrium processes.Probing molecular kinetics with Markov models: metastable states, transition pathways and spectroscopic observables.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.A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors.A hybrid MD-kMC algorithm for folding proteins in explicit solvent.Implications of short time scale dynamics on long time processes.
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P2860
Probability distributions of molecular observables computed from Markov models.
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
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
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2008年學術文章
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2008年學術文章
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name
Probability distributions of molecular observables computed from Markov models.
@en
Probability distributions of molecular observables computed from Markov models.
@nl
type
label
Probability distributions of molecular observables computed from Markov models.
@en
Probability distributions of molecular observables computed from Markov models.
@nl
prefLabel
Probability distributions of molecular observables computed from Markov models.
@en
Probability distributions of molecular observables computed from Markov models.
@nl
P2860
P356
P1476
Probability distributions of molecular observables computed from Markov models.
@en
P2093
P2860
P304
P356
10.1063/1.2916718
P407
P577
2008-06-01T00:00:00Z