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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
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 |