{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,2]],"date-time":"2026-05-02T05:43:54Z","timestamp":1777700634114,"version":"3.51.4"},"reference-count":60,"publisher":"American Chemical Society (ACS)","issue":"18","license":[{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004329","name":"The Slovenian Research and Innovation Agency","doi-asserted-by":"publisher","award":["J1-3019"],"award-info":[{"award-number":["J1-3019"]}],"id":[{"id":"10.13039\/501100004329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004329","name":"The Slovenian Research and Innovation Agency","doi-asserted-by":"publisher","award":["J1-4402"],"award-info":[{"award-number":["J1-4402"]}],"id":[{"id":"10.13039\/501100004329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004329","name":"The Slovenian Research and Innovation Agency","doi-asserted-by":"publisher","award":["N1-0300"],"award-info":[{"award-number":["N1-0300"]}],"id":[{"id":"10.13039\/501100004329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004329","name":"The Slovenian Research and Innovation Agency","doi-asserted-by":"publisher","award":["P1-0012"],"award-info":[{"award-number":["P1-0012"]}],"id":[{"id":"10.13039\/501100004329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004329","name":"The Slovenian Research and Innovation Agency","doi-asserted-by":"publisher","award":["P1-0017"],"award-info":[{"award-number":["P1-0017"]}],"id":[{"id":"10.13039\/501100004329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004329","name":"The Slovenian Research and Innovation Agency","doi-asserted-by":"publisher","award":["P1-0245"],"award-info":[{"award-number":["P1-0245"]}],"id":[{"id":"10.13039\/501100004329","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,9,22]]},"DOI":"10.1021\/acs.jcim.5c01478","type":"journal-article","created":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T06:45:25Z","timestamp":1756709125000},"page":"9747-9761","source":"Crossref","is-referenced-by-count":2,"title":["Water-Based Pharmacophore Modeling in Kinase Inhibitor Design: A Case Study on Fyn and Lyn Protein Kinases"],"prefix":"10.1021","volume":"65","author":[{"given":"Martin","family":"Ljubi\u010d","sequence":"first","affiliation":[{"name":"National Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia"},{"name":"Faculty of Pharmacy, University of Ljubljana, A\u0161ker\u010deva cesta 7, 1000 Ljubljana, Slovenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0560-3762","authenticated-orcid":true,"given":"Marija","family":"Sollner Dolenc","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, University of Ljubljana, A\u0161ker\u010deva cesta 7, 1000 Ljubljana, Slovenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3417-0940","authenticated-orcid":true,"given":"Jure","family":"Bori\u0161ek","sequence":"additional","affiliation":[{"name":"National Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6645-9231","authenticated-orcid":true,"given":"Andrej","family":"Perdih","sequence":"additional","affiliation":[{"name":"National Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia"},{"name":"Faculty of Pharmacy, University of Ljubljana, A\u0161ker\u010deva cesta 7, 1000 Ljubljana, Slovenia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2025,9,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c00249"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-396456-4.00007-9"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/sj.onc.1208160"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2021.06.004"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.3390\/vaccines10121993"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2018.03152"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.3390\/cancers12061448"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/sj.onc.1208081"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms4397"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.3390\/cancers12082327"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acschembio.5b01018"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1186\/s43042-021-00172-x"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb.1486"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2006.05.012"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.3390\/ph15050646"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2010.03.013"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1177\/1934578X1601101019"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2016.06.007"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1468"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M116.735431"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2024.116676"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2024.06.037"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-28546-z"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00281"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-0716-1209-5_13"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.3c00960"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b00057"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b06275"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/pro.3943"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/cpbi.3"},{"key":"ref31\/cit31","unstructured":"Case, D. A.; Belfon, K; Brozell, S. R.  AMBER 2020; University of California, 2020."},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00591"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkh381"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref35\/cit35","unstructured":"Frisch, M. J.; Trucks, G. W. Gaussian 16, Revision A.03; Gaussian Inc., 2016."},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/5.0019056"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ct900275y"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref41\/cit41","unstructured":"Schr\u00f6dingerLLC.  The PyMOL Molecular Graphics System, Version 2.0; 2015."},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/ci049885e"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26082383"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/ct300418h"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP07623A"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0897"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.4c00151"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.18632\/oncotarget.13643"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopsych.2017.06.004"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.1404"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2021.1937143"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1186\/1748-7188-8-1"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00520"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/jm300687e"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2024.116483"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jm301916b"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2005.12.012"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/S0092-8674(02)00741-9"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c03075"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01478","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01478","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,9,22]],"date-time":"2025-09-22T08:10:39Z","timestamp":1758528639000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c01478"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,9,1]]},"references-count":60,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2025,9,22]]}},"alternative-id":["10.1021\/acs.jcim.5c01478"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c01478","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,9,1]]}}}