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FPocketWeb: protein pocket hunting in a web browser

Detecting macromolecular (e.g., protein) cavities where small molecules bind is an early step in computer-aided drug discovery. Multiple pocket-detection algorithms have been developed over the past several decades. Among them, fpocket, created by Schmidtke and Le Guilloux, is particularly popular....

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Detalles Bibliográficos
Autores principales: Kochnev, Yuri, Durrant, Jacob D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9414105/
https://www.ncbi.nlm.nih.gov/pubmed/36008829
http://dx.doi.org/10.1186/s13321-022-00637-0