Score_set: a CAPRI benchmark for scoring protein complexes.

TitleScore_set: a CAPRI benchmark for scoring protein complexes.
Publication TypeJournal Article
Year of Publication2014
AuthorsLensink, M. F., and S. J. Wodak
JournalProteins
Volume82
Issue11
Pagination3163-9
Date Published2014 Nov
ISSN1097-0134
KeywordsDatabases, Protein, Internet, Models, Molecular, Molecular Docking Simulation, Protein Interaction Mapping
Abstract

Critical Assessment of PRedicted Interactions (CAPRI) has proven to be a catalyst for the development of docking algorithms. An essential step in docking is the scoring of predicted binding modes in order to identify stable complexes. In 2005, CAPRI introduced the scoring experiment, where upon completion of a prediction round, a larger set of models predicted by different groups and comprising both correct and incorrect binding modes, is made available to all participants for testing new scoring functions independently from docking calculations. Here we present an expanded benchmark data set for testing scoring functions, which comprises the consolidated ensemble of predicted complexes made available in the CAPRI scoring experiment since its inception. This consolidated scoring benchmark contains predicted complexes for 15 published CAPRI targets. These targets were subjected to 23 CAPRI assessments, due to existence of multiple binding modes for some targets. The benchmark contains more than 19,000 protein complexes. About 10% of the complexes represent docking predictions of acceptable quality or better, the remainder represent incorrect solutions (decoys). The benchmark set contains models predicted by 47 different predictor groups including web servers, which use different docking and scoring procedures, and is arguably as diverse as one may expect, representing the state of the art in protein docking. The data set is publicly available at the following URL: http://cb.iri.univ-lille1.fr/Users/lensink/Score_set.

DOI10.1002/prot.24678
Alternate JournalProteins
PubMed ID25179222
Grant List / / Canadian Institutes of Health Research / Canada
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