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SiteFerret: Beyond Simple Pocket Identification in Proteins

[Image: see text] We present a novel method for the automatic detection of pockets on protein molecular surfaces. The algorithm is based on an ad hoc hierarchical clustering of virtual probe spheres obtained from the geometrical primitives used by the NanoShaper software to build the solvent-exclude...

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Detalles Bibliográficos
Autores principales: Gagliardi, Luca, Rocchia, Walter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413863/
https://www.ncbi.nlm.nih.gov/pubmed/37470784
http://dx.doi.org/10.1021/acs.jctc.2c01306