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FRETpredict: A Python package for FRET efficiency predictions using rotamer libraries

Here, we introduce FRETpredict, a Python software program to predict FRET efficiencies from ensembles of protein conformations. FRETpredict uses an established Rotamer Library Approach to describe the FRET probes covalently bound to the protein. The software efficiently operates on large conformatio...

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Detalles Bibliográficos
Autores principales:	Montepietra, Daniele, Tesei, Giulio, Martins, João M., Kunze, Micha B. A., Best, Robert B., Lindorff-Larsen, Kresten
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Cold Spring Harbor Laboratory 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9928041/ https://www.ncbi.nlm.nih.gov/pubmed/36789411 http://dx.doi.org/10.1101/2023.01.27.525885

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