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BioinformaticsFrontiers in Molecular Biosciences
Peer-reviewed journal article

Rescoring ensembles of protein-protein docking poses using consensus approaches

Guillaume LaunayiD, Masahito OhueiD, Julia Prieto Santero, Yuri MatsuzakiiD, Cécile HilpertiD, Nobuyuki Uchikoga, Takanori Hayashi, Juliette MartiniD

PDFDOIPreprint

Abstract

Scoring is a challenging step in protein-protein docking, where typically thousands of solutions are generated. Successful scoring is more often based on physicochemical evaluation of the generated interfaces and/or statistical potentials that reproduce known interface properties. Another route is offered by consensus-based rescoring, where the set of solutions is used to build statistics in order to identify recurrent solutions. We explore several ways to perform consensus-based rescoring on the ZDOCK decoy set for Benchmark 4. We show that the information of the interface size is critical for successful rescoring. We combine consensus-based rescoring with the ZDOCK native scoring function and show that this improves the initial results.

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