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• W2887981960 abstract "Ligand binding site prediction from protein structure has many applications related to elucidation of protein function and structure based drug discovery. It often represents only one step of many in complex computational drug design efforts. Although many methods have been published to date, only few of them are suitable for use in automated pipelines or for processing large datasets. These use cases require stability and speed, which disqualifies many of the recently introduced tools that are either template based or available only as web servers. We present P2Rank, a stand-alone template-free tool for prediction of ligand binding sites based on machine learning. It is based on prediction of ligandability of local chemical neighbourhoods that are centered on points placed on the solvent accessible surface of a protein. We show that P2Rank outperforms several existing tools, which include two widely used stand-alone tools (Fpocket, SiteHound), a comprehensive consensus based tool (MetaPocket 2.0), and a recent deep learning based method (DeepSite). P2Rank belongs to the fastest available tools (requires under 1 s for prediction on one protein), with additional advantage of multi-threaded implementation. P2Rank is a new open source software package for ligand binding site prediction from protein structure. It is available as a user-friendly stand-alone command line program and a Java library. P2Rank has a lightweight installation and does not depend on other bioinformatics tools or large structural or sequence databases. Thanks to its speed and ability to make fully automated predictions, it is particularly well suited for processing large datasets or as a component of scalable structural bioinformatics pipelines." @default.
• W2887981960 created "2018-08-22" @default.
• W2887981960 creator A5049617942 @default.
• W2887981960 creator A5090048636 @default.
• W2887981960 date "2018-08-14" @default.
• W2887981960 modified "2023-10-18" @default.
• W2887981960 title "P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure" @default.
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• W2887981960 cites W1927265873 @default.
• W2887981960 cites W1969370763 @default.
• W2887981960 cites W1975304761 @default.
• W2887981960 cites W1976660940 @default.
• W2887981960 cites W1979414133 @default.
• W2887981960 cites W1980969309 @default.
• W2887981960 cites W1981064967 @default.
• W2887981960 cites W1982309045 @default.
• W2887981960 cites W1982885147 @default.
• W2887981960 cites W1983194490 @default.
• W2887981960 cites W1991445257 @default.
• W2887981960 cites W1997655258 @default.
• W2887981960 cites W2023170820 @default.
• W2887981960 cites W2024631466 @default.
• W2887981960 cites W2031390939 @default.
• W2887981960 cites W2043043757 @default.
• W2887981960 cites W2053658804 @default.
• W2887981960 cites W2060886672 @default.
• W2887981960 cites W2065232574 @default.
• W2887981960 cites W2078176948 @default.
• W2887981960 cites W2079953901 @default.
• W2887981960 cites W2081201773 @default.
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• W2887981960 cites W2113716571 @default.
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• W2887981960 cites W2123440974 @default.
• W2887981960 cites W2123578540 @default.
• W2887981960 cites W2125175309 @default.
• W2887981960 cites W2125299915 @default.
• W2887981960 cites W2126234813 @default.
• W2887981960 cites W2132395520 @default.
• W2887981960 cites W2138104170 @default.
• W2887981960 cites W2138905138 @default.
• W2887981960 cites W2139064989 @default.
• W2887981960 cites W2140407975 @default.
• W2887981960 cites W2140538197 @default.
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• W2887981960 doi "https://doi.org/10.1186/s13321-018-0285-8" @default.
• W2887981960 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6091426" @default.
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• W2887981960 hasPublicationYear "2018" @default.
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