Optimal Ligand Descriptor for Pocket Recognition Based on the Beta-Shape
نویسندگان
چکیده
منابع مشابه
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 of the predicted protein-ligand complex. In this paper, we present an optimal ligand shape descrip...
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ژورنال
عنوان ژورنال: PLOS ONE
سال: 2015
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0122787