{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,6]],"date-time":"2026-02-06T05:19:29Z","timestamp":1770355169467,"version":"3.49.0"},"reference-count":55,"publisher":"American Chemical Society (ACS)","issue":"2","license":[{"start":{"date-parts":[[2019,2,13]],"date-time":"2019-02-13T00:00:00Z","timestamp":1550016000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2019,2,13]],"date-time":"2019-02-13T00:00:00Z","timestamp":1550016000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2019,2,13]],"date-time":"2019-02-13T00:00:00Z","timestamp":1550016000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2019,2,25]]},"DOI":"10.1021\/acs.jcim.8b00750","type":"journal-article","created":{"date-parts":[[2019,2,13]],"date-time":"2019-02-13T20:07:02Z","timestamp":1550088422000},"page":"743-753","source":"Crossref","is-referenced-by-count":18,"title":["Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants"],"prefix":"10.1021","volume":"59","author":[{"given":"Rasmus","family":"Leth","sequence":"first","affiliation":[{"name":"Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bogac","family":"Ercig","sequence":"additional","affiliation":[{"name":"Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lars","family":"Olsen","sequence":"additional","affiliation":[{"name":"Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8040-2998","authenticated-orcid":true,"given":"Flemming Steen","family":"J\u00f8rgensen","sequence":"additional","affiliation":[{"name":"Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2019,2,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-319-12108-6","volume-title":"Cytochrome P450: Structure, Mechanism, and Biochemistry","author":"Ortiz de Montellano P. R.","year":"2015","edition":"4"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/jm300065h"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/S2095-3119(14)60980-1"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1098\/rstb.2012.0476"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/S0968-0004(02)02086-8"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2006.05.179"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jm0609061"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbi.2007.09.007"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/S0002-9343(98)00091-6"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/bi991195u"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/tx700419d"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2014.06.022"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2015.04.020"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/ci200542m"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/jm060551l"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/jp803854v"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/cr030722j"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/cr020443g"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.463096"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1007\/BF00533485"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677527"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.444267"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.438955"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.438980"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20450"},{"key":"ref28\/cit28","volume-title":"Turbomole3","year":"1989"},{"key":"ref29\/cit29","volume-title":"Maestro","year":"2014"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-013-9644-8"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/bi034556l"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.jct.2010.07.001"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/prot.24985"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21123"},{"key":"ref36\/cit36","volume-title":"Amber","author":"Case D. A.","year":"2012"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21922"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(95)00042-E"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.005"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1186\/1756-0500-5-367"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/tx500371a"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/B410729B"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/ct300329h"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2014.06.002"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/ja402016p"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/jm0508538"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/ct200422p"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201605094"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/ci500653b"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/ct300194x"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1003714"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.8b00750","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T21:25:16Z","timestamp":1681766716000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.8b00750"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,2,13]]},"references-count":55,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2019,2,25]]}},"alternative-id":["10.1021\/acs.jcim.8b00750"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.8b00750","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,2,13]]}}}