DeeplyTough: Learning Structural Comparison of Protein Binding Sites.
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DOI: 10.1021/acs.jcim.9b00554
Abstract: Protein pocket matching, or binding site comparison, is of importance in drug discovery. Identification of similar binding pockets can help guide efforts for hit finding, understanding polypharmacology and characterization of protein function. The design of… read more here.
Keywords: protein; learning structural; deeplytough learning; comparison protein ... See more keywords