(Q45289517)

11 December 2017

title

Functionally relevant protein motions: extracting basin-specific collective coordinates from molecular dynamics trajectories (English)

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11 December 2017

Patricia Wang Pan

1

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11 December 2017

Russell J Dickson

2

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11 December 2017

Heather L Gordon

3

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11 December 2017

Stuart M Rothstein

4

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11 December 2017

Shigenori Tanaka

5

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11 December 2017

language of work or name

English

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publication date

1 January 2005

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Journal of Chemical Physics

11 December 2017

published in

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11 December 2017

volume

122

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11 December 2017

issue

3

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11 December 2017

page(s)

34904

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Investigating protein dynamics in collective coordinate space

11 December 2017

cites work

1 reference

Conformational flexibility models for the receptor in structure based drug design.

21 January 2018

1 reference

An efficient method for sampling the essential subspace of proteins.

21 January 2018

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Protein conformational landscapes: energy minimization and clustering of a long molecular dynamics trajectory

21 January 2018

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Solvation energy in protein folding and binding

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Quasi-harmonic method for studying very low frequency modes in proteins.

21 January 2018

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Essential dynamics of proteins

21 January 2018

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Simulations of CRP:(cAMP)2 in noncrystalline environments show a subunit transition from the open to the closed conformation

21 January 2018

1 reference

Collective variable description of native protein dynamics

21 January 2018

1 reference

High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition

21 January 2018

1 reference

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

Collective motions in proteins: A covariance analysis of atomic fluctuations in molecular dynamics and normal mode simulations

21 January 2018

1 reference

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

21 January 2018

1 reference

PROCHECK: a program to check the stereochemical quality of protein structures

21 January 2018

1 reference

Conformational substates in proteins

21 January 2018

1 reference

Histogram filtering: A technique to optimize wave functions for use in Monte Carlo simulations

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

Millisecond-timescale motions contribute to the function of the bacterial response regulator protein Spo0F

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.1830434

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11 December 2017

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