Extracting time series matching a small-angle X-ray scattering profile from trajectories of molecular dynamics simulations

Solving structural ensembles of flexible biomolecules is a challenging research area. Here, we propose a method to obtain possible structural ensembles of a biomolecule based on small-angle X-ray scattering (SAXS) and molecular dynamics simulations. Our idea is to clip a time series that matches a S...

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Detalles Bibliográficos
Autores principales: Shimizu, Masahiro, Okuda, Aya, Morishima, Ken, Inoue, Rintaro, Sato, Nobuhiro, Yunoki, Yasuhiro, Urade, Reiko, Sugiyama, Masaaki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9200744/
https://www.ncbi.nlm.nih.gov/pubmed/35705644
http://dx.doi.org/10.1038/s41598-022-13982-9

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