{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T05:52:23Z","timestamp":1777441943995,"version":"3.51.4"},"reference-count":15,"publisher":"Oxford University Press (OUP)","issue":"8","license":[{"start":{"date-parts":[[2017,1,24]],"date-time":"2017-01-24T00:00:00Z","timestamp":1485216000000},"content-version":"vor","delay-in-days":19,"URL":"https:\/\/academic.oup.com\/journals\/pages\/about_us\/legal\/notices"}],"funder":[{"name":"National Health and Research Council of Australia","award":["1059775 and 1083450"],"award-info":[{"award-number":["1059775 and 1083450"]}]},{"DOI":"10.13039\/501100000923","name":"Australia Research Council","doi-asserted-by":"crossref","award":["LE150100161"],"award-info":[{"award-number":["LE150100161"]}],"id":[{"id":"10.13039\/501100000923","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2017,4,15]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:sec><jats:title>Motivation<\/jats:title><jats:p>The high cost of drug discovery motivates the development of accurate virtual screening tools. Binding-homology, which takes advantage of known protein\u2013ligand binding pairs, has emerged as a powerful discrimination technique. In order to exploit all available binding data, modelled structures of ligand-binding sequences may be used to create an expanded structural binding template library.<\/jats:p><\/jats:sec><jats:sec><jats:title>Results<\/jats:title><jats:p>SPOT-Ligand 2 has demonstrated significantly improved screening performance over its previous version by expanding the template library 15 times over the previous one. It also performed better than or similar to other binding-homology approaches on the DUD and DUD-E benchmarks.<\/jats:p><\/jats:sec><jats:sec><jats:title>Availability and Implementation<\/jats:title><jats:p>The server is available online at http:\/\/sparks-lab.org.<\/jats:p><\/jats:sec><jats:sec><jats:title>Supplementary information<\/jats:title><jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p><\/jats:sec>","DOI":"10.1093\/bioinformatics\/btw829","type":"journal-article","created":{"date-parts":[[2017,1,6]],"date-time":"2017-01-06T01:35:34Z","timestamp":1483666534000},"page":"1238-1240","source":"Crossref","is-referenced-by-count":19,"title":["SPOT-ligand 2: improving structure-based virtual screening by binding-homology search on an expanded structural template library"],"prefix":"10.1093","volume":"33","author":[{"given":"Thomas","family":"Litfin","sequence":"first","affiliation":[{"name":"School of Information and Communication Technology, Griffith University, Southport, Queensland, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yaoqi","family":"Zhou","sequence":"additional","affiliation":[{"name":"School of Information and Communication Technology, Griffith University, Southport, Queensland, Australia"},{"name":"Institute for Glycomics, Griffith University, Southport, Queensland, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yuedong","family":"Yang","sequence":"additional","affiliation":[{"name":"School of Information and Communication Technology, Griffith University, Southport, Queensland, Australia"},{"name":"Institute for Glycomics, Griffith University, Southport, Queensland, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2017,1,5]]},"reference":[{"key":"2023020205014570500_btw829-B1","doi-asserted-by":"crossref","first-page":"D1083","DOI":"10.1093\/nar\/gkt1031","article-title":"The ChEMBL bioactivity database: an update","volume":"42","author":"Bento","year":"2014","journal-title":"Nucleic Acids Res"},{"key":"2023020205014570500_btw829-B2","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1073\/pnas.0707684105","article-title":"A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation","volume":"105","author":"Brylinski","year":"2008","journal-title":"Proc. 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