{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,17]],"date-time":"2026-04-17T09:35:03Z","timestamp":1776418503606,"version":"3.51.2"},"reference-count":35,"publisher":"American Chemical Society (ACS)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,5,25]]},"DOI":"10.1021\/ci300081w","type":"journal-article","created":{"date-parts":[[2012,4,29]],"date-time":"2012-04-29T15:45:58Z","timestamp":1335714358000},"page":"1213-1221","source":"Crossref","is-referenced-by-count":10,"title":["Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-A"],"prefix":"10.1021","volume":"52","author":[{"given":"Gerald","family":"Zapata-Torres","sequence":"first","affiliation":[{"name":"Molecular Graphics Suite, Department\rof Inorganic and Analytical Chemistry, Faculty of Chemical and Pharmaceutical\rSciences, University of Chile, Santiago,\rChile"}]},{"given":"Angelica","family":"Fierro","sequence":"additional","affiliation":[{"name":"Department of Organic\rChemistry,\rFaculty of Chemistry, Pontificia Universidad Cat\u00f3lica de Chile, Santiago, Chile"}]},{"given":"Sebastian","family":"Miranda-Rojas","sequence":"additional","affiliation":[{"name":"Molecular Graphics Suite, Department\rof Inorganic and Analytical Chemistry, Faculty of Chemical and Pharmaceutical\rSciences, University of Chile, Santiago,\rChile"}]},{"given":"Carlos","family":"Guajardo","sequence":"additional","affiliation":[{"name":"Department of Organic\rChemistry,\rFaculty of Chemistry, Pontificia Universidad Cat\u00f3lica de Chile, Santiago, Chile"}]},{"given":"Patricio","family":"Saez-Briones","sequence":"additional","affiliation":[{"name":"School of Medicine, Faculty of\rMedical Sciences, University of Santiago de Chile, Santiago, Chile"}]},{"given":"J. Cristian","family":"Salgado","sequence":"additional","affiliation":[{"name":"Laboratory\rof Process Modeling\rand Distributed Computing, Department of Chemical Engineering and\rBiotechnology, University of Chile, Santiago,\rChile"}]},{"given":"Cristian","family":"Celis-Barros","sequence":"additional","affiliation":[{"name":"Molecular Graphics Suite, Department\rof Inorganic and Analytical Chemistry, Faculty of Chemical and Pharmaceutical\rSciences, University of Chile, Santiago,\rChile"}]}],"member":"316","published-online":{"date-parts":[[2012,5,8]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1038\/nrn1883","volume":"7","author":"Youdim M. B. H.","year":"2006","journal-title":"Nat. Rev. Neurosci."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1361","DOI":"10.1016\/S0006-2952(97)00405-X","volume":"54","author":"Scorza M. C.","year":"1997","journal-title":"Biochem. Pharmacol."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"4747","DOI":"10.1021\/jm001028o","volume":"43","author":"Gnerre C.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"2818","DOI":"10.1021\/jm801590u","volume":"52","author":"Chimenti F.","year":"2009","journal-title":"J. Med. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"240","DOI":"10.1016\/S0033-3182(85)72877-0","volume":"26","author":"Zisook. S. E.","year":"1985","journal-title":"Psychosomatics"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"174","DOI":"10.1592\/phco.27.12part2.174S","volume":"27","author":"Fern\u00e1ndez H. H.","year":"1985","journal-title":"Pharmacotherapy"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1388","DOI":"10.1016\/j.bmc.2010.01.029","volume":"18","author":"L\u00fchr S.","year":"2010","journal-title":"Bioorg. Med. Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"538","DOI":"10.1016\/j.cplett.2006.01.035","volume":"420","author":"Pratuangdejkul J.","year":"2006","journal-title":"Chem. Phys. Lett."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1007\/s00702-007-0675-y","volume":"114","author":"Jones T. Z. E.","year":"2007","journal-title":"J. Neural Transm."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"3850","DOI":"10.1111\/j.1742-4658.2008.06532.x","volume":"275","author":"Dunn R. V.","year":"2008","journal-title":"FEBS J."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"5739","DOI":"10.1073\/pnas.0710626105","volume":"105","author":"Son S. Y.","year":"2008","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1016\/j.jmb.2004.02.032","volume":"338","author":"Ma J.","year":"2004","journal-title":"J. Mol. Biol."},{"key":"ref13\/cit13","first-page":"67","volume":"66","author":"Das N.","year":"2012","journal-title":"Chem. Pap."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"7416","DOI":"10.1016\/j.bmc.2011.10.049","volume":"19","author":"Cerqueira E. C.","year":"2011","journal-title":"Bioorg. Med. Chem."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"368","DOI":"10.1093\/nar\/gki464","volume":"33","author":"Gordon J. C.","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"ref16\/cit16","volume-title":"Gaussian 98","author":"Frisch M. J.","year":"2001"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","volume":"19","author":"Morris G. M.","year":"1998","journal-title":"J. Comput. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1002\/jcc.20289","volume":"26","author":"Phillips J. C.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"3586","DOI":"10.1021\/jp973084f","volume":"102","author":"MacKerell A. D.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"9050","DOI":"10.1063\/1.466711","volume":"100","author":"Beglov D.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"ref21\/cit21","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":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"4613","DOI":"10.1063\/1.470648","volume":"103","author":"Feller S. E.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"Ryckaert J.","year":"1977","journal-title":"J. Comput. Phys."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1002\/jcc.540130805","volume":"13","author":"Pak S. M.","year":"1992","journal-title":"J. Comput. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","volume":"98","author":"Darden T.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref26\/cit26","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"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"10475","DOI":"10.1021\/bi0502902","volume":"44","author":"Seibold S. A.","year":"2005","journal-title":"Biochemistry"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"9602","DOI":"10.1021\/bi00451a008","volume":"28","author":"Deonarain M. P.","year":"1989","journal-title":"Biochemistry"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"2013","DOI":"10.1021\/ci900209w","volume":"49","author":"Adam C. L.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"1983","DOI":"10.2174\/0929867043364784","volume":"11","author":"Edmondson D. E.","year":"2004","journal-title":"Curr. Med. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1016\/S0301-4622(96)02262-4","volume":"65","author":"Sandberg L.","year":"1997","journal-title":"Biophys. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"316","DOI":"10.1186\/1471-2105-7-316","volume":"7","author":"Petr\u0115k M.","year":"2006","journal-title":"BMC Bioinf."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1002\/biot.200600208","volume":"2","author":"Damborsk\u00fd J","year":"2007","journal-title":"Biotechnol. J."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"7710","DOI":"10.1021\/bi200951z","volume":"50","author":"Wang J.","year":"2011","journal-title":"Biochemistry"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1016\/0014-5793(85)81285-0","volume":"190","author":"Reid K. S. C.","year":"1985","journal-title":"FEBS Lett."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci300081w","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T13:09:48Z","timestamp":1681736988000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci300081w"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,5,8]]},"references-count":35,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2012,5,25]]}},"alternative-id":["10.1021\/ci300081w"],"URL":"https:\/\/doi.org\/10.1021\/ci300081w","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,5,8]]}}}