Pocket to concavity: a tool for the refinement of protein–ligand binding site shape from alpha spheres

SUMMARY: Understanding the binding site of the target protein is essential for rational drug design. Pocket detection software predicts the ligand binding site of the target protein; however, the predicted protein pockets are often excessively estimated in comparison with the actual volume of the bo...

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Detalles Bibliográficos
Autores principales: Kudo, Genki, Hirao, Takumi, Yoshino, Ryunosuke, Shigeta, Yasuteru, Hirokawa, Takatsugu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Applications Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10148677/
https://www.ncbi.nlm.nih.gov/pubmed/37086438
http://dx.doi.org/10.1093/bioinformatics/btad212

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10148677/
https://www.ncbi.nlm.nih.gov/pubmed/37086438
http://dx.doi.org/10.1093/bioinformatics/btad212

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