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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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| Udgivet i: | IUCrJ |
|---|---|
| Hovedforfatter: | |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
International Union of Crystallography
2018
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| Fag: | |
| Online adgang: | 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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