{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,20]],"date-time":"2026-01-20T15:20:57Z","timestamp":1768922457476,"version":"3.49.0"},"reference-count":60,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2020,2,11]],"date-time":"2020-02-11T00:00:00Z","timestamp":1581379200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,2,11]],"date-time":"2020-02-11T00:00:00Z","timestamp":1581379200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,2,11]],"date-time":"2020-02-11T00:00:00Z","timestamp":1581379200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["GA2101\/2-1"],"award-info":[{"award-number":["GA2101\/2-1"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["SFB1278 Polytarget"],"award-info":[{"award-number":["SFB1278 Polytarget"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000921","name":"European Cooperation in Science and Technology","doi-asserted-by":"publisher","award":["IC1406"],"award-info":[{"award-number":["IC1406"]}],"id":[{"id":"10.13039\/501100000921","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004410","name":"T?rkiye Bilimsel ve Teknolojik Arastirma Kurumu","doi-asserted-by":"publisher","award":["112S596"],"award-info":[{"award-number":["112S596"]}],"id":[{"id":"10.13039\/501100004410","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2020,3,23]]},"DOI":"10.1021\/acs.jcim.9b00941","type":"journal-article","created":{"date-parts":[[2020,2,11]],"date-time":"2020-02-11T19:11:47Z","timestamp":1581448307000},"page":"1737-1748","source":"Crossref","is-referenced-by-count":11,"title":["Discovery of Novel 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors by Exploiting a Multistep Virtual Screening Protocol"],"prefix":"10.1021","volume":"60","author":[{"given":"Abdurrahman","family":"Olgac","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Gazi University, Etiler, 06560 Yenimahalle, Ankara, Turkey"},{"name":"Laboratory of Molecular Modeling, Evias Pharmaceutical R&D Ltd., Gazi Teknopark G1-101, 06830 Golbasi, Ankara, Turkey"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6097-3996","authenticated-orcid":true,"given":"Andrea","family":"Carotti","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, University of Perugia, Via del Liceo 1, 06123 Perugia, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christian","family":"Kretzer","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical\/Medicinal Chemistry, Institute of Pharmacy, Friedrich Schiller University Jena, Philosophenweg 14, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stephanie","family":"Zergiebel","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical\/Medicinal Chemistry, Institute of Pharmacy, Friedrich Schiller University Jena, Philosophenweg 14, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andreas","family":"Seeling","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical\/Medicinal Chemistry, Institute of Pharmacy, Friedrich Schiller University Jena, Philosophenweg 14, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ulrike","family":"Garscha","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical\/Medicinal Chemistry, Institute of Pharmacy, Friedrich Schiller University Jena, Philosophenweg 14, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5064-4379","authenticated-orcid":true,"given":"Oliver","family":"Werz","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical\/Medicinal Chemistry, Institute of Pharmacy, Friedrich Schiller University Jena, Philosophenweg 14, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Antonio","family":"Macchiarulo","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, University of Perugia, Via del Liceo 1, 06123 Perugia, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4737-1733","authenticated-orcid":true,"given":"Erden","family":"Banoglu","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Gazi University, Etiler, 06560 Yenimahalle, Ankara, Turkey"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2020,2,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2017.07.019"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2015.04.090"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/343282a0"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/343278a0"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1096\/fj.15-278010"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1042\/BJ20060669"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1084\/jem.178.6.1935"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.alit.2014.09.001"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMra071371"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.2174\/1568010043483917"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1358\/dnp.2003.16.8.829345"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1517\/14728222.2014.945425"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1093\/cvr\/cvq016"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1189\/jlb.0808476"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-13-3012"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.canlet.2009.10.008"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/S0091-6749(95)70151-6"},{"key":"ref18\/cit18","first-page":"1163","volume":"10","author":"Sampson A. P.","year":"2009","journal-title":"Curr. Opin. Invest. Drugs"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2007.11.006"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1126\/science.1144346"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.pupt.2013.11.007"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1111\/cts.12546"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.8b02004"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jm501185j"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2012.04.048"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2016.02.027"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2011.08.009"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.bcp.2016.08.023"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.03.045"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2016.07.004"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1111\/bph.12625"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1038\/srep42751"},{"key":"ref33\/cit33","unstructured":"Schr\u00f6dinger\nRelease 2017-1: Schr\u00f6dinger Suite\n2017-1 Protein Preparation Wizard; Epik; Schr\u00f6dinger, LLC: New York,\nNY, 2017."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","unstructured":"Schr\u00f6dinger\nRelease 2017-1: Maestro; Schr\u00f6dinger,\nLLC: New York,\nNY, 2017.","DOI":"10.2307\/j.ctvcm4h07.63"},{"key":"ref35\/cit35","unstructured":"Small-Molecule\nDrug Discovery Suite 2017; Schr\u00f6dinger,\nLLC: New York,\nNY, 2017."},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.05.041"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","unstructured":"Schr\u00f6dinger\nRelease 2017-1: LigPrep; Schr\u00f6dinger,\nLLC: New York,\nNY, 2017.","DOI":"10.2307\/j.ctvcm4h07.63"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","unstructured":"Schr\u00f6dinger\nRelease 2017-1: Glide; Schr\u00f6dinger,\nLLC: New York,\nNY, 2017.","DOI":"10.2307\/j.ctvcm4h07.63"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","unstructured":"Schr\u00f6dinger\nRelease 2017-1: Phase; Schr\u00f6dinger,\nLLC: New York,\nNY, 2017.","DOI":"10.2307\/j.ctvcm4h07.63"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2010.06.011"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","unstructured":"Schr\u00f6dinger Release 2017-1: Canvas; Schr\u00f6dinger, LLC: New York,\nNY, 2017.","DOI":"10.2307\/j.ctvcm4h07.63"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","unstructured":"Schr\u00f6dinger\nRelease 2017-1: Field-based QSAR; Schr\u00f6dinger,\nLLC: New York, NY, 2017.","DOI":"10.2307\/j.ctvcm4h07.63"},{"key":"ref43\/cit43","first-page":"873","volume":"41","author":"Charleson S.","year":"1992","journal-title":"Mol. Pharmacol."},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw1074"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr777"},{"key":"ref46\/cit46","doi-asserted-by":"crossref","unstructured":"Berthold, M. R.; Cebron, N.; Dill, F.; Gabriel, T. R.; K\u00f6tter, T.; Meinl, T.; Ohl, P.; Sieb, C.; Thiel, K.; Wiswedel, B. KNIME: The Konstanz Information Miner; Springer Berlin Heidelberg: Berlin, Heidelberg, 2008; pp 319\u2013326.","DOI":"10.1007\/978-3-540-78246-9_38"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btk023"},{"key":"ref48\/cit48","unstructured":"Schr\u00f6dinger\nRelease 2016-3: Desmond Molecular Dynamics\nSystem; D. E. Shaw Research, Schr\u00f6dinger: New York, NY, 2016."},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref51\/cit51","unstructured":"Olgac, A.; Budak, G.; Cobanoglu, S.; Nuti, R.; Carotti, A.; Banoglu, E. In  Evias Web Services: Cloud-Based Drug Discovery Platform, EuroQSAR Symposium; Verona, Italy, 2016; p79."},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1172\/JCI92885"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/S0378-4347(00)82742-5"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1096\/fj.201802509R"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1096\/fj.02-0815fje"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0808211106"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth947"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1096\/fj.201500210R"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-09795-w"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.9b00941","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T04:56:39Z","timestamp":1682484999000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b00941"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,2,11]]},"references-count":60,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2020,3,23]]}},"alternative-id":["10.1021\/acs.jcim.9b00941"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.9b00941","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,2,11]]}}}