Protein–protein docking with binding site patch prediction and network‐based terms enhanced combinatorial scoring

• DOI: 10.1002/prot.22831
• Publication Date: 2010-07-23T15:10:15Z
• Authors: Xinqi Gong; Panwen Wang; Feng Yang; Shan Chang; Bin Liu; Hongqiu He; Libin Cao; Xianjin Xu; Chunhua Li; Weizu Chen; Cunxin Wang
• Keywords: Docking (animal); Macromolecular docking; Protein–ligand docking

Abstract Protein–protein docking has made much progress in recent years, but challenges still exist. Here we present the application of our approach HoDock CAPRI. In this approach, a binding site prediction is implemented to reduce sampling space and filter out unreasonable docked structures, network‐based enhanced combinatorial scoring function HPNCscore used evaluate decoys. The experimental information was combined with predicted pick most likely key residues. We applied method rounds CAPRI experiments, got good results as predictors on targets 39, 40, 41. also scorers 35, 37, This indicates that can contribute protein–protein methods understanding mechanism interactions. Proteins 2010. © 2010 Wiley‐Liss, Inc.