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• W2757172890 abstract "Abstract Motivation Large-scale computational docking will be increasingly used in future years to discriminate protein–protein interactions at the residue resolution. Complete cross-docking experiments make in silico reconstruction of protein–protein interaction networks a feasible goal. They ask for efficient and accurate screening of the millions structural conformations issued by the calculations. Results We propose CIPS (Combined Interface Propensity for decoy Scoring), a new pair potential combining interface composition with residue–residue contact preference. CIPS outperforms several other methods on screening docking solutions obtained either with all-atom or with coarse-grain rigid docking. Further testing on 28 CAPRI targets corroborates CIPS predictive power over existing methods. By combining CIPS with atomic potentials, discrimination of correct conformations in all-atom structures reaches optimal accuracy. The drastic reduction of candidate solutions produced by thousands of proteins docked against each other makes large-scale docking accessible to analysis. Availability and implementation CIPS source code is freely available at http://www.lcqb.upmc.fr/CIPS. Supplementary information Supplementary data are available at Bioinformatics online." @default.
• W2757172890 created "2017-10-06" @default.
• W2757172890 creator A5038174177 @default.
• W2757172890 creator A5090189197 @default.
• W2757172890 date "2017-09-22" @default.
• W2757172890 modified "2023-10-17" @default.
• W2757172890 title "Protein–protein interaction specificity is captured by contact preferences and interface composition" @default.
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• W2757172890 doi "https://doi.org/10.1093/bioinformatics/btx584" @default.
• W2757172890 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5860360" @default.
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