(Q40152204)

18 September 2017

title

Bayesian ensemble refinement by replica simulations and reweighting (English)

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18 September 2017

Gerhard Hummer

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author name string

Jürgen Köfinger

series ordinal

2

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18 September 2017

language of work or name

English

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publication date

1 December 2015

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Journal of Chemical Physics

18 September 2017

published in

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18 September 2017

volume

143

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18 September 2017

issue

24

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18 September 2017

page(s)

243150

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Combining experiments and simulations using the maximum entropy principle

18 September 2017

cites work

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SAXS ensemble refinement of ESCRT-III CHMP3 conformational transitions

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Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations

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Ensemble-Biased Metadynamics: A Molecular Simulation Method to Sample Experimental Distributions

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Iterative Optimization of Molecular Mechanics Force Fields from NMR Data of Full-Length Proteins

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Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data

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Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides

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High-resolution reversible folding of hyperstable RNA tetraloops using molecular dynamics simulations

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21 January 2018

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Mapping Long-Range Interactions in α-Synuclein using Spin-Label NMR and Ensemble Molecular Dynamics Simulations

21 January 2018

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Slow Protein Conformational Dynamics from Multiple Experimental Structures: The Helix/Sheet Transition of Arc Repressor

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21 January 2018

Identifiers

DOI

10.1063/1.4937786

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18 September 2017

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