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Linking time-series of single-molecule experiments with molecular dynamics simulations by machine learning

Single-molecule experiments and molecular dynamics (MD) simulations are indispensable tools for investigating protein conformational dynamics. The former provide time-series data, such as donor-acceptor distances, whereas the latter give atomistic information, although this information is often bias...

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Detalles Bibliográficos
Autores principales: Matsunaga, Yasuhiro, Sugita, Yuji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: eLife Sciences Publications, Ltd 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5933924/
https://www.ncbi.nlm.nih.gov/pubmed/29723137
http://dx.doi.org/10.7554/eLife.32668