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Optimal Ligand Descriptor for Pocket Recognition Based on the Beta-Shape

Structure-based virtual screening is one of the most important and common computational methods for the identification of predicted hit at the beginning of drug discovery. Pocket recognition and definition is frequently a prerequisite of structure-based virtual screening, reducing the search space o...

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Detalles Bibliográficos
Autores principales: Kim, Jae-Kwan, Won, Chung-In, Cha, Jehyun, Lee, Kichun, Kim, Deok-Soo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4383629/
https://www.ncbi.nlm.nih.gov/pubmed/25835497
http://dx.doi.org/10.1371/journal.pone.0122787