(Q44998812)

8 December 2017

title

Markovian milestoning with Voronoi tessellations (English)

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8 December 2017

1

Eric Vanden-Eijnden

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8 December 2017

Maddalena Venturoli

2

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8 December 2017

language of work or name

English

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publication date

1 May 2009

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Journal of Chemical Physics

8 December 2017

published in

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8 December 2017

volume

130

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8 December 2017

issue

19

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8 December 2017

page(s)

194101

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

8 December 2017

cites work

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Coarse master equations for peptide folding dynamics.

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

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

21 January 2018

1 reference

Computing time scales from reaction coordinates by milestoning.

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

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

21 January 2018

1 reference

On the assumptions underlying milestoning

21 January 2018

1 reference

String method for the study of rare events

21 January 2018

1 reference

Finite temperature string method for the study of rare events.

21 January 2018

1 reference

Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptide

21 January 2018

1 reference

Simplified and improved string method for computing the minimum energy paths in barrier-crossing events.

21 January 2018

1 reference

Revisiting the finite temperature string method for the calculation of reaction tubes and free energies.

21 January 2018

1 reference

Structure and dynamics of model pore insertion into a membrane

21 January 2018

1 reference

Coarse-grained molecular dynamics simulations of the energetics of helix insertion into a lipid bilayer.

21 January 2018

1 reference

String method in collective variables: minimum free energy paths and isocommittor surfaces.

21 January 2018

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Simulation studies of protein-induced bilayer deformations, and lipid-induced protein tilting, on a mesoscopic model for lipid bilayers with embedded proteins

21 January 2018

1 reference

Molecular simulations of mesoscopic bilayer phases.

21 January 2018

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Molecular simulations of lipid-mediated protein-protein interactions

21 January 2018

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Mesoscopic simulation of cell membrane damage, morphology change and rupture by nonionic surfactants

21 January 2018

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Nonequilibrium umbrella sampling in spaces of many order parameters.

21 January 2018

1 reference

Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3129843

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8 December 2017

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