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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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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Kim, Jae-Kwan, Won, Chung-In, Cha, Jehyun, Lee, Kichun, Kim, Deok-Soo
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4383629/
https://ncbi.nlm.nih.gov/pubmed/25835497
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0122787
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