Improving Protein-Peptide Docking Results via Pose-Clustering and Rescoring with a Combined Knowledge-Based and MM-GBSA Scoring Function
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DOI: 10.1021/acs.jcim.0c00058
Abstract: Protein-peptide docking, which predicts the complex structure between a protein and a peptide, is a valuable computational tool in peptide therapeutics development and mechanistic investigation of peptides involved cellular processes. Although current peptide docking approaches… read more here.
Keywords: knowledge based; scoring function; post docking; peptide docking ... See more keywords