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Combining enhanced sampling and deep learning dimensionality reduction for the study of the heat shock protein B8 and its pathological mutant K141E

The biological functions of proteins closely depend on their conformational dynamics. This aspect is especially relevant for intrinsically disordered proteins (IDP) for which structural ensembles often offer more useful representations than individual conformations. Here we employ extensive enhanced...

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Detalles Bibliográficos
Autores principales: Montepietra, Daniele, Cecconi, Ciro, Brancolini, Giorgia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9641792/
https://www.ncbi.nlm.nih.gov/pubmed/36380940
http://dx.doi.org/10.1039/d2ra04913a