Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein–Protein Docking

[Image: see text] Protein–protein docking typically consists of the generation of putative binding conformations, which are subsequently ranked by fast heuristic scoring functions. The simplicity of these functions allows for computational efficiency but has severe repercussions on their discriminat...

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Detalles Bibliográficos
Autores principales: Scafuri, Nicola, Soler, Miguel A., Spitaleri, Andrea, Rocchia, Walter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8582249/
https://www.ncbi.nlm.nih.gov/pubmed/34653335
http://dx.doi.org/10.1021/acs.jctc.1c00789

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8582249/
https://www.ncbi.nlm.nih.gov/pubmed/34653335
http://dx.doi.org/10.1021/acs.jctc.1c00789

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