(Q51928884)

17 April 2018

title

Harmonic Fourier beads method for studying rare events on rugged energy surfaces. (English)

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author name string

Ilja V Khavrutskii

series ordinal

1

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Karunesh Arora

series ordinal

2

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Charles L Brooks

series ordinal

3

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17 April 2018

language of work or name

English

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publication date

1 November 2006

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Journal of Chemical Physics

published in

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volume

125

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issue

17

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page(s)

174108

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Molecular dynamics and protein function

cites work

1 reference

Direct computation of long time processes in peptides and proteins: reaction path study of the coil-to-helix transition in polyalanine.

21 January 2018

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A line integral reaction path approximation for large systems via nonlinear constrained optimization: application to alanine dipeptide and the beta hairpin of protein G.

21 January 2018

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21 January 2018

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21 January 2018

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Orchestration of cooperative events in DNA synthesis and repair mechanism unraveled by transition path sampling of DNA polymerase beta's closing

21 January 2018

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String method for the study of rare events

21 January 2018

1 reference

A growing string method for determining transition states: comparison to the nudged elastic band and string methods

21 January 2018

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Free energy profile along a discretized reaction path via the hyperplane constraint force and torque.

21 January 2018

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Classical statistical mechanics of constraints: a theorem and application to polymers

21 January 2018

1 reference

Finite temperature string method for the study of rare events.

21 January 2018

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Simple energy landscape model for the kinetics of functional transitions in proteins

21 January 2018

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21 January 2018

1 reference

Nonlinear elasticity, proteinquakes, and the energy landscapes of functional transitions in proteins

21 January 2018

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

Bead-Fourier path integral Monte Carlo method applied to systems of identical particles

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2363379

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17 April 2018

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17 April 2018