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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Union of Crystallography
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947722/ https://www.ncbi.nlm.nih.gov/pubmed/29765607 http://dx.doi.org/10.1107/S2052252518000519 |