Markov state models based on milestoning. (Q51561878)

7 April 2018

title

Markov state models based on milestoning. (English)

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7 April 2018

Jianfeng Lu

3

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Eric Vanden-Eijnden

series ordinal

5

object named as

Eric Vanden-Eijnden

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7 April 2018

1

Christof Schütte

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7 April 2018

author name string

Frank Noé

series ordinal

2

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7 April 2018

Marco Sarich

series ordinal

4

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language of work or name

English

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publication date

1 May 2011

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7 April 2018

Journal of Chemical Physics

published in

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7 April 2018

volume

134

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issue

20

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page(s)

204105

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Structure-function-folding relationship in a WW domain

cites work

1 reference

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Understanding ensemble protein folding at atomic detail

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Essential dynamics of reversible peptide folding: memory-free conformational dynamics governed by internal hydrogen bonds.

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Extracting Markov Models of Peptide Conformational Dynamics from Simulation Data

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1 reference

Building Markov state models along pathways to determine free energies and rates of transitions

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Hidden complexity of free energy surfaces for peptide (protein) folding

21 January 2018

1 reference

Hierarchical analysis of conformational dynamics in biomolecules: transition networks of metastable states.

21 January 2018

1 reference

Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics

21 January 2018

1 reference

Computing time scales from reaction coordinates by milestoning.

21 January 2018

1 reference

Efficient computation of the first passage time distribution of the generalized master equation by steady-state relaxation.

21 January 2018

1 reference

A milestoning study of the kinetics of an allosteric transition: atomically detailed simulations of deoxy Scapharca hemoglobin

21 January 2018

1 reference

Extending molecular dynamics time scales with milestoning: example of complex kinetics in a solvated peptide.

21 January 2018

1 reference

Markovian milestoning with Voronoi tessellations

21 January 2018

1 reference

Illustration of transition path theory on a collection of simple examples.

21 January 2018

1 reference

Transition-path theory and path-finding algorithms for the study of rare events

21 January 2018

1 reference

Transition state theory: variational formulation, dynamical corrections, and error estimates.

21 January 2018

1 reference

Probability distributions of molecular observables computed from Markov models.

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.3590108

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7 April 2018

PubMed ID

21639422

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7 April 2018