(Q51544888)

6 April 2018

title

Comparison between self-guided Langevin dynamics and molecular dynamics simulations for structure refinement of protein loop conformations. (English)

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6 April 2018

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Mark A Olson

1

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6 April 2018

Sidhartha Chaudhury

series ordinal

2

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6 April 2018

Michael S Lee

series ordinal

3

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publication date

25 July 2011

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Journal of Computational Chemistry

published in

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volume

32

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issue

14

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page(s)

3014-3022

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Solvent dramatically affects protein structure refinement.

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Native protein sequences are close to optimal for their structures

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An orientation-dependent hydrogen bonding potential improves prediction of specificity and structure for proteins and protein-protein complexes

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21 January 2018

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Toward canonical ensemble distribution from self-guided Langevin dynamics simulation

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Identifiers

DOI

10.1002/JCC.21883

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6 April 2018

DBLP publication ID

journals/jcc/OlsonCL11

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DBLP Dataset 2021-01-02

28 January 2021

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6 April 2018