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The PatchSearch web server provides an automated workflow that allows users to identify structurally conserved binding sites at the protein surfaces in a set of user-supplied protein structures. Thus, this web server may help to detect potential off-target protein. It takes as input a protein complexed with a ligand and identifies within user-defined or predefined collections of protein structures, those having a binding site compatible with this ligand in terms of geometry and physicochemical properties. It is based on a non-sequential local alignment of the patch over the entire protein surface. Then the PatchSearch web server proposes a ligand binding mode for the potential off-target, as well as an estimated affinity calculated by the Vinardo scoring function. This novel tool is able to efficiently detects potential interactions of ligands with distant off-target proteins. Furthermore, by facilitating the discovery of unexpected off-targets, PatchSearch could contribute to the repurposing of existing drugs. The server is freely available at http:\/\/bioserv.rpbs.univ-paris-diderot.fr\/services\/PatchSearch.<\/jats:p>","DOI":"10.1093\/nar\/gkz478","type":"journal-article","created":{"date-parts":[[2019,5,21]],"date-time":"2019-05-21T17:17:09Z","timestamp":1558459029000},"page":"W365-W372","source":"Crossref","is-referenced-by-count":14,"title":["PatchSearch: a web server for off-target protein identification"],"prefix":"10.1093","volume":"47","author":[{"given":"Julien","family":"Rey","sequence":"first","affiliation":[{"name":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, INSERM UMRS-973, Mol\u00e9cules Th\u00e9rapeutiques in silico (MTi), F-75205 Paris, France"},{"name":"Ressource Parisienne en Bioinformatique Structurale (RPBS), Paris, France"}]},{"given":"In\u00e8s","family":"Rasolohery","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, INSERM UMRS-973, Mol\u00e9cules Th\u00e9rapeutiques in silico (MTi), F-75205 Paris, France"}]},{"given":"Pierre","family":"Tuff\u00e9ry","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, INSERM UMRS-973, Mol\u00e9cules Th\u00e9rapeutiques in silico (MTi), F-75205 Paris, France"},{"name":"Ressource Parisienne en Bioinformatique Structurale (RPBS), Paris, France"}]},{"given":"Fr\u00e9d\u00e9ric","family":"Guyon","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, INSERM UMRS-973, Mol\u00e9cules Th\u00e9rapeutiques in silico (MTi), F-75205 Paris, France"}]},{"given":"Gautier","family":"Moroy","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, INSERM UMRS-973, Mol\u00e9cules Th\u00e9rapeutiques in silico (MTi), F-75205 Paris, France"}]}],"member":"286","published-online":{"date-parts":[[2019,5,27]]},"reference":[{"key":"2019062808324801800_B1","doi-asserted-by":"crossref","first-page":"1971","DOI":"10.4155\/fmc.12.147","article-title":"Chemogenomics in drug discovery: computational methods based on the comparison of binding sites","volume":"4","author":"Vulpetti","year":"2012","journal-title":"Future Med. 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