Protein pocket detection via convex hull surface evolution and associated Reeb graph
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DOI: 10.1093/bioinformatics/bty598
Abstract: Motivation Protein pocket information is invaluable for drug target identification, agonist design, virtual screening and receptor‐ligand binding analysis. A recent study indicates that about half holoproteins can simultaneously bind multiple interacting ligands in a large… read more here.
Keywords: hull surface; convex hull; protein pocket; surface evolution ... See more keywords