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• W3029133744 abstract "CAPRI challenges offer a variety of blind tests for protein-protein interaction prediction. In CAPRI Rounds 38-45, we generated a set of putative binding modes for each target with an FFT-based docking algorithm, and then scored and ranked these binding modes with a proprietary scoring function, ITScorePP. We have also developed a novel web server, Rebipp. The algorithm utilizes information retrieval to identify relevant biological information to significantly reduce the search space for a particular protein. In parallel, we have also constructed a GPU-based docking server, MDockPP, for protein-protein complex structure prediction. Here, the performance of our protocol in CAPRI rounds 38-45 is reported, which include 16 docking and scoring targets. Among them, three targets contain multiple interfaces: Targets 124, 125, and 136 have 2, 4, and 3 interfaces, respectively. In the predictor experiments, we predicted correct binding modes for nine targets, including one high-accuracy interface, six medium-accuracy binding modes, and six acceptable-accuracy binding modes. For the docking server prediction experiments, we predicted correct binding modes for eight targets, including one high-accuracy, three medium-accuracy, and five acceptable-accuracy binding modes." @default.
• W3029133744 created "2020-06-05" @default.
• W3029133744 creator A5008531388 @default.
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• W3029133744 creator A5086751536 @default.
• W3029133744 date "2020-07-01" @default.
• W3029133744 modified "2023-10-18" @default.
• W3029133744 title "Performance of human and server prediction in <scp>CAPRI</scp> rounds 38‐45" @default.
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• W3029133744 doi "https://doi.org/10.1002/prot.25956" @default.
• W3029133744 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7423244" @default.
• W3029133744 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32483825" @default.
• W3029133744 hasPublicationYear "2020" @default.
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