{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,13]],"date-time":"2026-03-13T00:18:46Z","timestamp":1773361126216,"version":"3.50.1"},"reference-count":78,"publisher":"American Chemical Society (ACS)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2014,5,27]]},"DOI":"10.1021\/ci500159q","type":"journal-article","created":{"date-parts":[[2014,4,21]],"date-time":"2014-04-21T20:21:11Z","timestamp":1398111671000},"page":"1356-1370","source":"Crossref","is-referenced-by-count":37,"title":["Key Amino Acid Associated with Acephate Detoxification by <i>Cydia pomonella<\/i> Carboxylesterase Based on Molecular Dynamics with Alanine Scanning and Site-Directed Mutagenesis"],"prefix":"10.1021","volume":"54","author":[{"given":"Xue Qing","family":"Yang","sequence":"first","affiliation":[]},{"given":"Ji Yuan","family":"Liu","sequence":"additional","affiliation":[]},{"given":"Xian Chun","family":"Li","sequence":"additional","affiliation":[{"name":"Department\rof Entomology, The University of Arizona, Tucson, Arizona 85721, United States"}]},{"given":"Mao Hua","family":"Chen","sequence":"additional","affiliation":[]},{"given":"Ya Lin","family":"Zhang","sequence":"additional","affiliation":[]}],"member":"316","published-online":{"date-parts":[[2014,5,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","unstructured":"Oakeshott, J. G.; Claudianos, C.; Campbell, P. M.; Newcomb, R. D.; Russell, R. J.InComprehensive Molecular Insect Science-Pharma-cology;Gilbert, L. I.; Latrou, K.; Gill, S. S., Eds.Elsevier:Oxford, 2005; Chapter 5, pp309\u2013381.","DOI":"10.1016\/B0-44-451924-6\/00073-9"},{"key":"ref2\/cit2","unstructured":"Yan, B.InEncyclopedia of Drug Metabolism and Interactions;Lyubimov, A. V., Ed.Wiley & Sons:Hoboken, NJ, 2012; Vol.6, Chapter 14, pp1\u201334."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1016\/j.pestbp.2011.03.003","volume":"100","author":"Rodr\u00edguez M. A.","year":"2011","journal-title":"Pestic. Biochem. Phys."},{"key":"ref4\/cit4","first-page":"113","volume":"15","author":"Charmillot P. J.","year":"1992","journal-title":"IOBC. WPRS. Bull."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1046\/j.1570-7458.2000.00621.x","volume":"94","author":"Charmillot P. J.","year":"2000","journal-title":"Entomol. Exp. Appl."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/j.pestbp.2011.04.006","volume":"100","author":"Voudouris C. C.","year":"2011","journal-title":"Pestic. Biochem. Phys."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/j.pestbp.2010.09.004","volume":"99","author":"Reyes M.","year":"2011","journal-title":"Pestic. Biochem. Phys."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1225","DOI":"10.1093\/jee\/91.6.1225","volume":"91","author":"Sauphanor B.","year":"1998","journal-title":"J. Econ. Entomol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1002\/ps.776","volume":"60","author":"Pasquier D.","year":"2003","journal-title":"Pest. Manag. Sci."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"890","DOI":"10.1002\/ps.1421","volume":"63","author":"Reyes M.","year":"2007","journal-title":"Pest. Manag. Sci."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"482","DOI":"10.1603\/EC09249","volume":"103","author":"Rodr\u00edguez M. A.","year":"2010","journal-title":"J. Econ. Entomol."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"551","DOI":"10.1093\/jee\/100.2.551","volume":"100","author":"Fuentes-Contreras E.","year":"2007","journal-title":"J. Econ. Entomol."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"964","DOI":"10.1002\/ps.1582","volume":"64","author":"Sole\u00f1o J.","year":"2008","journal-title":"Pest. Manag. Sci."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"7464","DOI":"10.1073\/pnas.94.14.7464","volume":"94","author":"Newcomb R. D.","year":"1997","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.ibmb.2010.09.004","volume":"41","author":"Cui F.","year":"2011","journal-title":"Insect Biochem. Mol. Biol."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"675","DOI":"10.1016\/S0965-1748(99)00035-1","volume":"29","author":"Claudianos C.","year":"1999","journal-title":"Insect Biochem. Mol. Biol."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1038\/nsb790","volume":"9","author":"Bencharit S.","year":"2002","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1016\/j.jmb.2006.08.025","volume":"363","author":"Bencharit S.","year":"2006","journal-title":"J. Mol. Biol."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1874","DOI":"10.1021\/bi035586r","volume":"43","author":"Wierdl M.","year":"2004","journal-title":"Biochemistry"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"677","DOI":"10.1016\/j.str.2004.03.005","volume":"12","author":"Bourne Y.","year":"2004","journal-title":"Structure"},{"key":"ref21\/cit21","first-page":"345","volume":"10","author":"Bencharit S.","year":"2003","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"4776","DOI":"10.1021\/jp0447136","volume":"109","author":"Hamza A.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"3763","DOI":"10.1093\/nar\/gkg524","volume":"31","author":"Rose T. M.","year":"2003","journal-title":"Nucleic Acids Res."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/S0378-1119(01)00819-8","volume":"282","author":"Rombel I. T.","year":"2002","journal-title":"Gene"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1596","DOI":"10.1093\/molbev\/msm092","volume":"24","author":"Tamura K.","year":"2007","journal-title":"Mol. Biol. Evol."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"783","DOI":"10.1016\/j.jmb.2004.05.028","volume":"340","author":"Bendtsen J. D.","year":"2004","journal-title":"J. Mol. Biol."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"392","DOI":"10.1186\/1471-2105-9-392","volume":"9","author":"Pierleoni A.","year":"2008","journal-title":"BMC Bioinf."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1023\/A:1006960004440","volume":"15","author":"Hansen J. E.","year":"1998","journal-title":"Glycoconjugate J."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1006\/jmbi.1993.1626","volume":"234","author":"\u0160ali A.","year":"1993","journal-title":"J. Mol. Biol."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"4876","DOI":"10.1093\/nar\/25.24.4876","volume":"25","author":"Thompson J. D.","year":"1997","journal-title":"Nucleic Acids Res."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1107\/S0108767310099757","volume":"66","author":"Chen V. B.","year":"2010","journal-title":"Acta Crystallogr."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/S0022-2836(95)80037-9","volume":"245","author":"Jones G.","year":"1995","journal-title":"J. Mol. Biol."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1006\/jmbi.1996.0897","volume":"267","author":"Jones G.","year":"1997","journal-title":"J. Mol. Biol."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"1788","DOI":"10.1093\/jaoac\/88.6.1788","volume":"88","author":"LePage J. T.","year":"2005","journal-title":"J. AOAC Int."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"466","DOI":"10.1107\/S0021889807067908","volume":"41","author":"Macrae C. F.","year":"2008","journal-title":"J. Appl. Crystallogr."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1021\/ci800298z","volume":"49","author":"Korb O.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"2083","DOI":"10.1093\/bioinformatics\/btr331","volume":"27","author":"Zhang Z.","year":"2011","journal-title":"Bioinformatics"},{"key":"ref38\/cit38","volume-title":"The PyMol Molecular Graphics System","author":"DeLano W. L.","year":"2010"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","volume":"14","author":"Humphrey W.","year":"1996","journal-title":"J. Mol. Graphics. Modell."},{"key":"ref40\/cit40","volume-title":"Maestro","year":"2008"},{"key":"ref41\/cit41","volume-title":"AMBER 12","author":"Case D. A.","year":"2012"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"Wang J.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1623","DOI":"10.1002\/jcc.10128","volume":"23","author":"Jakalian A.","year":"2002","journal-title":"J. Comput. Chem."},{"key":"ref44\/cit44","first-page":"188","volume":"414","author":"Hummer G.","year":"2001","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"Berendsen H. J. C.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"Ryckaert J. P.","year":"1977","journal-title":"J. Comput. Phys."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","volume":"103","author":"Essmann U.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1021\/ar000033j","volume":"33","author":"Kollman P. A.","year":"2000","journal-title":"Acc. Chem. Res."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"287","DOI":"10.2174\/157340906778226454","volume":"2","author":"Wang H.","year":"2006","journal-title":"Curr. Comput-Aided Drug Des."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1021\/ci100275a","volume":"51","author":"Hou T.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"866","DOI":"10.1002\/jcc.21666","volume":"32","author":"Hou T.","year":"2011","journal-title":"J. Comput. Chem."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1002\/(SICI)1096-987X(19990130)20:2<217::AID-JCC4>3.0.CO;2-A","volume":"20","author":"Weiser J.","year":"1999","journal-title":"J. Comput. Chem."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"1201","DOI":"10.1016\/j.jmb.2007.12.054","volume":"376","author":"Hou T. J.","year":"2008","journal-title":"J. Mol. Biol."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"891","DOI":"10.1016\/S0022-2836(03)00610-7","volume":"330","author":"Gohlke H.","year":"2003","journal-title":"J. Mol. Biol."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"644","DOI":"10.1002\/jcc.20566","volume":"28","author":"Moreira I. S.","year":"2007","journal-title":"J. Comput. Chem."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1002\/jcc.1153","volume":"23","author":"Huo S.","year":"2002","journal-title":"J. Comput. Chem."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"8133","DOI":"10.1021\/ja990935j","volume":"121","author":"Massova I. S.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"10423","DOI":"10.1007\/s00253-013-5236-8","volume":"97","author":"Yang X. Q.","year":"2013","journal-title":"Appl. Microbiol. Biotechnol."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"248","DOI":"10.1016\/0003-2697(76)90527-3","volume":"72","author":"Bradford M. M.","year":"1976","journal-title":"Anal. Biochem."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"714","DOI":"10.1021\/es60130a004","volume":"11","author":"Hamilton M. A.","year":"1977","journal-title":"Environ. Sci. Technol."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"441","DOI":"10.1093\/nar\/gkp253","volume":"37","author":"Cer R. Z.","year":"2009","journal-title":"Nucleic Acids Res."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1126\/science.1853201","volume":"253","author":"Bowie J. U.","year":"1991","journal-title":"Science"},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1038\/356083a0","volume":"356","author":"L\u00fcthy R.","year":"1992","journal-title":"Nature"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"W116","DOI":"10.1093\/nar\/gkl282","volume":"34","author":"Dundas J.","year":"2006","journal-title":"Nucleic Acids Res."},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"1072","DOI":"10.1016\/j.bbrc.2004.05.090","volume":"319","author":"Song X.","year":"2004","journal-title":"Biochem. Bioph. Res. Co."},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"997","DOI":"10.1021\/ci400066x","volume":"53","author":"Pan P. C.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"3584","DOI":"10.1096\/fj.07-8237com","volume":"21","author":"Cui F.","year":"2007","journal-title":"FASEB J."},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"495","DOI":"10.1007\/s00894-010-0742-4","volume":"17","author":"Zhu X. L.","year":"2011","journal-title":"J. Mol. Model."},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1016\/j.ibmb.2012.01.004","volume":"42","author":"Coppin C. W.","year":"2012","journal-title":"Insect Biochem. Mol. Biol."},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"15056","DOI":"10.1073\/pnas.0607286103","volume":"103","author":"Joerger A. C.","year":"2006","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"1936","DOI":"10.1021\/ci900174d","volume":"49","author":"Zhu X. L.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/j.tibtech.2011.01.002","volume":"29","author":"Morin A.","year":"2011","journal-title":"Trends Biotechnol."},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1016\/S1359-6446(05)03377-5","volume":"10","author":"Cao Z. W.","year":"2005","journal-title":"Drug Discovery Today"},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1002\/ps.2291","volume":"68","author":"Hollomon D.","year":"2012","journal-title":"Pest Manag. Sci."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"456","DOI":"10.1046\/j.1365-2540.2001.00928.x","volume":"87","author":"Bouvier J. C.","year":"2001","journal-title":"Heredity"},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"523","DOI":"10.1016\/S0167-7799(97)01138-4","volume":"15","author":"Kuchner O.","year":"1997","journal-title":"Trends Biotechnol."},{"key":"ref77\/cit77","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1016\/S0167-7799(00)01522-5","volume":"19","author":"Chen R.","year":"2001","journal-title":"Trends Biotechnol."},{"key":"ref78\/cit78","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1472-6807-12-22","volume":"12","author":"Argiriadi M. A.","year":"2012","journal-title":"BMC Struct. Biol."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci500159q","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T20:56:58Z","timestamp":1681592218000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci500159q"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,5,1]]},"references-count":78,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2014,5,27]]}},"alternative-id":["10.1021\/ci500159q"],"URL":"https:\/\/doi.org\/10.1021\/ci500159q","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,5,1]]}}}