{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T16:50:13Z","timestamp":1785430213613,"version":"3.56.0"},"reference-count":61,"publisher":"Elsevier BV","issue":"16","license":[{"start":{"date-parts":[[2015,8,1]],"date-time":"2015-08-01T00:00:00Z","timestamp":1438387200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2015,8,1]],"date-time":"2015-08-01T00:00:00Z","timestamp":1438387200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"funder":[{"DOI":"10.13039\/501100000038","name":"Natural Sciences and Engineering Research Council of Canada","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000038","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000196","name":"Canada Foundation for Innovation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000196","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004952","name":"Atlantic Canada Opportunities Agency","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004952","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic &amp; Medicinal Chemistry Letters"],"published-print":{"date-parts":[[2015,8]]},"DOI":"10.1016\/j.bmcl.2015.05.079","type":"journal-article","created":{"date-parts":[[2015,5,31]],"date-time":"2015-05-31T07:34:23Z","timestamp":1433057663000},"page":"3221-3225","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":11,"title":["Computational insights into the suicide inhibition of Plasmodium falciparum Fk506-binding protein 35"],"prefix":"10.1016","volume":"25","author":[{"given":"Corey A.","family":"MacDonald","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Russell J.","family":"Boyd","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bmcl.2015.05.079_b0005","first-page":"601","volume":"15","author":"Barber","year":"1932","journal-title":"Am. J. Hyg."},{"key":"10.1016\/j.bmcl.2015.05.079_b0010","doi-asserted-by":"crossref","first-page":"203","DOI":"10.4269\/ajtmh.2007.77.203","volume":"77","author":"Goodman","year":"2007","journal-title":"Am. J. Trop. Med. Hyg."},{"key":"10.1016\/j.bmcl.2015.05.079_b0015","doi-asserted-by":"crossref","first-page":"622","DOI":"10.1136\/bmj.333.7558.62-a","volume":"333","author":"Rehwagen","year":"2006","journal-title":"Brit. Med. J."},{"key":"10.1016\/j.bmcl.2015.05.079_b0020","author":"Wang","year":"2015","journal-title":"Wall Street J."},{"key":"10.1016\/j.bmcl.2015.05.079_b0025","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/j.jmgm.2015.04.009","volume":"59","author":"MacDonald","year":"2015","journal-title":"J. Mol. Graphics Modell."},{"key":"10.1016\/j.bmcl.2015.05.079_b0030","doi-asserted-by":"crossref","first-page":"1577","DOI":"10.1002\/pro.438","volume":"19","author":"Alag","year":"2010","journal-title":"Protein Sci."},{"key":"10.1016\/j.bmcl.2015.05.079_b0035","doi-asserted-by":"crossref","first-page":"1874","DOI":"10.2174\/092986711795496818","volume":"18","author":"Bharatham","year":"2011","journal-title":"Curr. Med. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0040","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1016\/j.molbiopara.2004.10.007","volume":"139","author":"Monaghan","year":"2005","journal-title":"Mol. Biochem. Parasitol."},{"key":"10.1016\/j.bmcl.2015.05.079_b0045","doi-asserted-by":"crossref","first-page":"1235","DOI":"10.1002\/prot.24487","volume":"82","author":"Rajan","year":"2014","journal-title":"Proteins"},{"key":"10.1016\/j.bmcl.2015.05.079_b0050","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1186\/1475-2875-6-131","volume":"6","author":"Smith","year":"2007","journal-title":"Malaria J."},{"key":"10.1016\/j.bmcl.2015.05.079_b0055","first-page":"1","volume":"16","author":"Caraballo","year":"2014","journal-title":"Emerg. Med. Pract."},{"key":"10.1016\/j.bmcl.2015.05.079_b0060","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1051\/parasite\/2014059","volume":"21","author":"Sinha","year":"2014","journal-title":"Parasite"},{"key":"10.1016\/j.bmcl.2015.05.079_b0065","doi-asserted-by":"crossref","first-page":"275","DOI":"10.1016\/j.inhe.2010.09.008","volume":"2","author":"Ohnmar","year":"2010","journal-title":"Int. Health"},{"key":"10.1016\/j.bmcl.2015.05.079_b0070","first-page":"1176","volume":"332","author":"Rehwagen","year":"2006","journal-title":"Brit. Med. J."},{"key":"10.1016\/j.bmcl.2015.05.079_b0075","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1016\/S1473-3099(10)70079-7","volume":"10","author":"Douglas","year":"2010","journal-title":"Lancet Infect. Dis."},{"key":"10.1016\/j.bmcl.2015.05.079_b0080","doi-asserted-by":"crossref","first-page":"330","DOI":"10.1126\/science.1155165","volume":"320","author":"White","year":"2008","journal-title":"Science"},{"key":"10.1016\/j.bmcl.2015.05.079_b0085","doi-asserted-by":"crossref","first-page":"12902","DOI":"10.1021\/ja962013b","volume":"118","author":"Beausoleil","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.bmcl.2015.05.079_b0090","doi-asserted-by":"crossref","first-page":"330","DOI":"10.1002\/bip.21341","volume":"93","author":"Byun","year":"2010","journal-title":"Biopolymers"},{"key":"10.1016\/j.bmcl.2015.05.079_b0095","doi-asserted-by":"crossref","first-page":"2426","DOI":"10.1021\/jo9800863","volume":"63","author":"Cox","year":"1998","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0100","doi-asserted-by":"crossref","first-page":"1249","DOI":"10.7164\/antibiotics.40.1249","volume":"40","author":"Kino","year":"1987","journal-title":"J. Antibiot."},{"key":"10.1016\/j.bmcl.2015.05.079_b0105","doi-asserted-by":"crossref","first-page":"679","DOI":"10.1016\/0965-1748(95)00007-I","volume":"25","author":"Warren","year":"1995","journal-title":"Insect Biochem. Mol. Biol."},{"key":"10.1016\/j.bmcl.2015.05.079_b0110","doi-asserted-by":"crossref","first-page":"2734","DOI":"10.1073\/pnas.96.6.2734","volume":"96","author":"Testa","year":"1999","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"10.1016\/j.bmcl.2015.05.079_b0115","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1016\/S0968-0896(00)00002-X","volume":"8","author":"Deussen","year":"2000","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0120","doi-asserted-by":"crossref","first-page":"597","DOI":"10.1016\/0006-2952(93)90543-6","volume":"46","author":"Batke","year":"1993","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.bmcl.2015.05.079_b0125","doi-asserted-by":"crossref","first-page":"627","DOI":"10.1128\/EC.00016-13","volume":"12","author":"Alag","year":"2013","journal-title":"Eukaryot. Cell."},{"key":"10.1016\/j.bmcl.2015.05.079_b0130","doi-asserted-by":"crossref","first-page":"5951","DOI":"10.1021\/bi800004u","volume":"47","author":"Kotaka","year":"2008","journal-title":"Biochemistry"},{"key":"10.1016\/j.bmcl.2015.05.079_b0135","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1107\/S0907444994014514","volume":"51","author":"Wilson","year":"1995","journal-title":"Acta Crystallogr, Sect. D: Biol. Crystallogr."},{"key":"10.1016\/j.bmcl.2015.05.079_b0140","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1016\/S0163-7258(98)00050-3","volume":"82","author":"Fry","year":"1999","journal-title":"Pharmacol. Ther."},{"key":"10.1016\/j.bmcl.2015.05.079_b0145","doi-asserted-by":"crossref","first-page":"6902","DOI":"10.1021\/ja047699j","volume":"127","author":"Lucas Mde","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.bmcl.2015.05.079_b0150","doi-asserted-by":"crossref","first-page":"2511","DOI":"10.1016\/j.bmc.2013.02.039","volume":"21","author":"Sommer","year":"2013","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0155","doi-asserted-by":"crossref","first-page":"4639","DOI":"10.1021\/cr010182v","volume":"102","author":"Powers","year":"2002","journal-title":"Chem. Rev."},{"key":"10.1016\/j.bmcl.2015.05.079_b0160","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1038\/nrd3410","volume":"10","author":"Singh","year":"2011","journal-title":"Nat. Rev. Drug Discovery"},{"key":"10.1016\/j.bmcl.2015.05.079_b0165","doi-asserted-by":"crossref","first-page":"285","DOI":"10.1007\/BF02740664","volume":"15","author":"Gold","year":"1997","journal-title":"Mol. Neurobiol."},{"key":"10.1016\/j.bmcl.2015.05.079_b0170","unstructured":"MOE Molecular Operating Environment, 2009.10; Chemical Computing Group: Montreal, Quebec, Canada, 2009."},{"key":"10.1016\/j.bmcl.2015.05.079_b0175","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1002\/jcc.20289","volume":"26","author":"Phillips","year":"2005","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0180","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1002\/prot.22234","volume":"75","author":"Labute","year":"2009","journal-title":"Proteins"},{"key":"10.1016\/j.bmcl.2015.05.079_b0185","doi-asserted-by":"crossref","first-page":"1049","DOI":"10.1002\/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F","volume":"21","author":"Wang","year":"2000","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0190","doi-asserted-by":"crossref","first-page":"6701","DOI":"10.1021\/jp403405b","volume":"117","author":"Bushnell","year":"2013","journal-title":"J. Phys. Chem. B."},{"key":"10.1016\/j.bmcl.2015.05.079_b0195","doi-asserted-by":"crossref","first-page":"14635","DOI":"10.1021\/jp408486n","volume":"117","author":"De Luna","year":"2013","journal-title":"J. Phys. Chem. B."},{"key":"10.1016\/j.bmcl.2015.05.079_b0200","series-title":"Gaussian 09, Revision C.01","author":"Frisch","year":"2010"},{"key":"10.1016\/j.bmcl.2015.05.079_b0205","doi-asserted-by":"crossref","first-page":"19357","DOI":"10.1021\/jp962071j","volume":"100","author":"Svensson","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0210","doi-asserted-by":"crossref","first-page":"815","DOI":"10.1021\/ct050289g","volume":"2","author":"Vreven","year":"2006","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.bmcl.2015.05.079_b0215","unstructured":"Bearpark, M. J.; Ogliaro, F.; Vreven, T.; Boggio-Pasqua, M.; Frisch, M. J.; Larkin, S. M.; Robb, M. A., In Computation in Modern Science and Engineering, American Institute of Physics: Melville, 2007; Vol. 2, Parts A and B."},{"key":"10.1016\/j.bmcl.2015.05.079_b0220","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0166-1280(98)00475-8","volume":"461","author":"Dapprich","year":"1999","journal-title":"J. Mol. Struct. THEOCHEM."},{"key":"10.1016\/j.bmcl.2015.05.079_b0225","doi-asserted-by":"crossref","first-page":"1959","DOI":"10.1063\/1.472065","volume":"105","author":"Humbel","year":"1996","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bmcl.2015.05.079_b0230","doi-asserted-by":"crossref","first-page":"1170","DOI":"10.1002\/jcc.540160911","volume":"16","author":"Maseras","year":"1995","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0235","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1147\/rd.453.0367","volume":"45","author":"Morokuma","year":"2001","journal-title":"IBM J. Res. Dev."},{"key":"10.1016\/j.bmcl.2015.05.079_b0240","doi-asserted-by":"crossref","first-page":"1419","DOI":"10.1002\/1096-987X(200012)21:16<1419::AID-JCC1>3.0.CO;2-C","volume":"21","author":"Vreven","year":"2000","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0245","doi-asserted-by":"crossref","first-page":"760","DOI":"10.1002\/jcc.10156","volume":"24","author":"Vreven","year":"2003","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0250","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke","year":"1988","journal-title":"Phys. Rev. A."},{"key":"10.1016\/j.bmcl.2015.05.079_b0255","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B."},{"key":"10.1016\/j.bmcl.2015.05.079_b0260","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1007\/s00214-005-0012-1","volume":"116","author":"Himo","year":"2006","journal-title":"Theor. Chem. Acc."},{"key":"10.1016\/j.bmcl.2015.05.079_b0265","doi-asserted-by":"crossref","first-page":"761","DOI":"10.1021\/ct100530r","volume":"7","author":"Hu","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.bmcl.2015.05.079_b0270","unstructured":"CRC handbook of chemistry and physics: a ready-reference book of chemical and physical data, 85th ed. (2004\u20132005) ed.; Boca Raton, FL: CRC Press, 2004."},{"key":"10.1016\/j.bmcl.2015.05.079_b0275","doi-asserted-by":"crossref","first-page":"1318","DOI":"10.1126\/science1108367","volume":"308","author":"Cohen","year":"2005","journal-title":"Science"},{"key":"10.1016\/j.bmcl.2015.05.079_b0280","doi-asserted-by":"crossref","first-page":"4234","DOI":"10.1073\/pnas.0600445103","volume":"103","author":"Schirmer","year":"2006","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"10.1016\/j.bmcl.2015.05.079_b0285","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1002\/ardp.200800009","volume":"341","author":"Wissner","year":"2008","journal-title":"Arch. Pharm. (Weinheim)"},{"key":"10.1016\/j.bmcl.2015.05.079_b0290","doi-asserted-by":"crossref","first-page":"285","DOI":"10.1016\/j.chembiol.2010.02.007","volume":"17","author":"Zhou","year":"2010","journal-title":"Chem. Biol."},{"key":"10.1016\/j.bmcl.2015.05.079_b0295","doi-asserted-by":"crossref","first-page":"8400","DOI":"10.1039\/c1ob06065a","volume":"9","author":"Mulliner","year":"2011","journal-title":"Org. Biomol. Chem."},{"key":"10.1016\/j.bmcl.2015.05.079_b0300","doi-asserted-by":"crossref","first-page":"3404","DOI":"10.1073\/pnas.051632198","volume":"98","author":"Dinkova-Kostova","year":"2001","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"10.1016\/j.bmcl.2015.05.079_b0305","doi-asserted-by":"crossref","first-page":"2507","DOI":"10.1021\/cr100222q","volume":"111","author":"Benigni","year":"2011","journal-title":"Chem. Rev."}],"container-title":["Bioorganic &amp; Medicinal Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X15005533?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X15005533?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,18]],"date-time":"2025-10-18T07:01:32Z","timestamp":1760770892000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0960894X15005533"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,8]]},"references-count":61,"journal-issue":{"issue":"16","published-print":{"date-parts":[[2015,8]]}},"alternative-id":["S0960894X15005533"],"URL":"https:\/\/doi.org\/10.1016\/j.bmcl.2015.05.079","relation":{},"ISSN":["0960-894X"],"issn-type":[{"value":"0960-894X","type":"print"}],"subject":[],"published":{"date-parts":[[2015,8]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Computational insights into the suicide inhibition of Plasmodium falciparum Fk506-binding protein 35","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry Letters","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmcl.2015.05.079","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"Copyright \u00a9 2015 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}]}}