{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T10:30:19Z","timestamp":1787049019352,"version":"3.56.0"},"reference-count":26,"publisher":"American Chemical Society (ACS)","issue":"8","license":[{"start":{"date-parts":[[2020,8,11]],"date-time":"2020-08-11T00:00:00Z","timestamp":1597104000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,8,11]],"date-time":"2020-08-11T00:00:00Z","timestamp":1597104000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,8,11]],"date-time":"2020-08-11T00:00:00Z","timestamp":1597104000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100002261","name":"Russian Foundation for Basic Research","doi-asserted-by":"publisher","award":["18-315-00389 mol_A"],"award-info":[{"award-number":["18-315-00389 mol_A"]}],"id":[{"id":"10.13039\/501100002261","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,8,24]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>The ability of ligands to form crucial interactions with a protein target, characteristic for the substrate and\/or inhibitors, could be considered a structural criterion for identifying potent binders among docked compounds. Structural filtration of predicted poses improves the performance of virtual screening and helps in recovering specifically bound ligands. Here, we present vsFilt\ue5f8a highly automated and easy-to-use Web server for postdocking structural filtration. The new tool can detect various types of interactions that are known to be involved in the molecular recognition, including hydrogen and halogen bonds, ionic interactions, hydrophobic contacts, \u03c0-stacking, and cation-\u03c0 interactions. A case study for poly\u00ad(ADP-ribose) polymerase 1 ligands illustrates the utility of the software. The Web server is freely available at https:\/\/biokinet.belozersky.msu.ru\/vsfilt.<\/jats:p>","DOI":"10.1021\/acs.jcim.0c00303","type":"journal-article","created":{"date-parts":[[2020,8,11]],"date-time":"2020-08-11T18:22:13Z","timestamp":1597170133000},"page":"3692-3696","source":"Crossref","is-referenced-by-count":12,"title":["vsFilt: A Tool to Improve Virtual Screening by Structural\nFiltration of Docking Poses"],"prefix":"10.1021","volume":"60","author":[{"given":"Irina\nV.","family":"Gushchina","sequence":"first","affiliation":[{"name":"Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology , Lenin hills 1, bldg. 40 , ,","place":["Moscow, Russia, 119991"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aleksandra M.","family":"Polenova","sequence":"additional","affiliation":[{"name":"Lomonosov Moscow State University, Faculty of Medicine , Lomonosov Ave. 27, bldg. 1 , ,","place":["Moscow, Russia, 119991"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dmitry A.","family":"Suplatov","sequence":"additional","affiliation":[{"name":"Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology , Lenin hills 1, bldg. 40 , ,","place":["Moscow, Russia, 119991"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vytas K.","family":"S\u030cvedas","sequence":"additional","affiliation":[{"name":"Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology , Lenin hills 1, bldg. 40 , ,","place":["Moscow, Russia, 119991"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5067-7939","authenticated-orcid":true,"given":"Dmitry K.","family":"Nilov","sequence":"additional","affiliation":[{"name":"Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology , Lenin hills 1, bldg. 40 , ,","place":["Moscow, Russia, 119991"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2020,8,11]]},"reference":[{"key":"2026081805073251700_cit1","doi-asserted-by":"publisher","first-page":"1223","DOI":"10.1007\/s00894-009-0633-8","article-title":"Improving Performance\nof Docking-Based Virtual Screening by Structural Filtration","volume":"16","author":"Novikov","year":"2010","journal-title":"J. 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