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Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increase...

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Bibliographic Details
Published in:IUCrJ
Main Author: Wall, Michael E.
Format: Artigo
Language:Inglês
Published: International Union of Crystallography 2018
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5947722/
https://ncbi.nlm.nih.gov/pubmed/29765607
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252518000519
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