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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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Publicado no: | PLoS One |
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Main Authors: | , , , , |
Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
Public Library of Science
2015
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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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