{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,22]],"date-time":"2026-01-22T01:35:10Z","timestamp":1769045710072,"version":"3.49.0"},"reference-count":8,"publisher":"Oxford University Press (OUP)","issue":"19","license":[{"start":{"date-parts":[[2021,3,20]],"date-time":"2021-03-20T00:00:00Z","timestamp":1616198400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100010785","name":"Canada First Research Excellence Fund","doi-asserted-by":"publisher","award":["#CFREF-2015-00011"],"award-info":[{"award-number":["#CFREF-2015-00011"]}],"id":[{"id":"10.13039\/501100010785","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2021,10,11]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Summary<\/jats:title>\n                  <jats:p>\u2018PoseFilter\u2019 is a PyMOL plugin that assists in analyses and filtering of docked poses. PoseFilter enables automatic detection of symmetric poses from docking outputs and can be accessed using both graphical user interface and command-line options within the PyMOL program. Two methods of analyses, root mean square deviations and interaction fingerprints, are available from this plugin. The capabilities of the plugin are demonstrated using docking outputs from different oligomeric protein-ligand complexes.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>The plugin can be downloaded from the GitHub page, https:\/\/github.com\/skalyaanamoorthy\/PoseFilter.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btab188","type":"journal-article","created":{"date-parts":[[2021,3,17]],"date-time":"2021-03-17T20:11:39Z","timestamp":1616011899000},"page":"3367-3368","source":"Crossref","is-referenced-by-count":13,"title":["PoseFilter: a PyMOL plugin for filtering and analyzing small molecule docking in symmetric binding sites"],"prefix":"10.1093","volume":"37","author":[{"given":"Justine C","family":"Williams","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Waterloo , Waterloo, ON N2L 3G1, Canada"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0854-6449","authenticated-orcid":false,"given":"Subha","family":"Kalyaanamoorthy","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Waterloo , Waterloo, ON N2L 3G1, Canada"}]}],"member":"286","published-online":{"date-parts":[[2021,3,20]]},"reference":[{"key":"2023051608261039300_btab188-B1","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/j.csbj.2014.05.004","article-title":"Simple Ligand\u2013Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison","volume":"10","author":"Chupakhin","year":"2014","journal-title":"Comput. Struct. Biotechnol. J"},{"key":"2023051608261039300_btab188-B2","doi-asserted-by":"crossref","first-page":"2555","DOI":"10.1021\/ci500319f","article-title":"Structural protein\u2013ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study","volume":"54","author":"Da","year":"2014","journal-title":"J. Chem. Inf. Model"},{"key":"2023051608261039300_btab188-B3","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1146\/annurev-biophys-051013-023008","article-title":"Structural symmetry in membrane proteins","volume":"44","author":"Forrest","year":"2015","journal-title":"Annu. Rev. Biophys"},{"key":"2023051608261039300_btab188-B4","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1080\/17460441.2018.1418319","article-title":"Binding modes of hERG blockers: an unsolved mystery in the drug design arena","volume":"13","author":"Kalyaanamoorthy","year":"2018","journal-title":"Expert Opin. Drug Discov"},{"key":"2023051608261039300_btab188-B5","doi-asserted-by":"crossref","first-page":"677","DOI":"10.3797\/scipharm.1307-01","article-title":"How to solve the problems of docking into a symmetric binding site: the example of the HERG channel","volume":"81","author":"Schiesaro","year":"2013","journal-title":"Sci. Pharm"},{"key":"2023051608261039300_btab188-B6"},{"key":"2023051608261039300_btab188-B7","doi-asserted-by":"crossref","first-page":"5375","DOI":"10.1039\/C7GC02343J","article-title":"Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction","volume":"19","author":"Wilding","year":"2017","journal-title":"Green Chem"},{"key":"2023051608261039300_btab188-B8","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/s13321-015-0078-2","article-title":"Open Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery field","volume":"7","author":"W\u00f3jcikowski","year":"2015","journal-title":"J. Cheminf"}],"container-title":["Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/academic.oup.com\/bioinformatics\/advance-article-pdf\/doi\/10.1093\/bioinformatics\/btab188\/36780782\/btab188.pdf","content-type":"application\/pdf","content-version":"am","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/37\/19\/3367\/50338266\/btab188.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/37\/19\/3367\/50338266\/btab188.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,5,16]],"date-time":"2023-05-16T08:33:21Z","timestamp":1684226001000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article\/37\/19\/3367\/6179105"}},"subtitle":[],"editor":[{"given":"Yann","family":"Ponty","sequence":"additional","affiliation":[]}],"short-title":[],"issued":{"date-parts":[[2021,3,20]]},"references-count":8,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2021,10,11]]}},"URL":"https:\/\/doi.org\/10.1093\/bioinformatics\/btab188","relation":{},"ISSN":["1367-4803","1367-4811"],"issn-type":[{"value":"1367-4803","type":"print"},{"value":"1367-4811","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2021,10,1]]},"published":{"date-parts":[[2021,3,20]]}}}