{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,5]],"date-time":"2026-03-05T12:04:26Z","timestamp":1772712266352,"version":"3.50.1"},"reference-count":63,"publisher":"Informa UK Limited","issue":"16","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2021,11,2]]},"DOI":"10.1080\/07391102.2020.1796807","type":"journal-article","created":{"date-parts":[[2020,7,22]],"date-time":"2020-07-22T05:10:58Z","timestamp":1595394658000},"page":"6031-6043","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":5,"title":["Identification of potential modulator of\n                    <i>Anopheles gambiae<\/i>\n                    odorant binding protein 1 by hierarchical virtual screening and molecular dynamics"],"prefix":"10.1080","volume":"39","author":[{"given":"Mayra Ramos","family":"do Bomfim","sequence":"first","affiliation":[{"name":"Laborat\u00f3rio de Modelagem Molecular, Universidade Estadual de Feira de Santana","place":["Feira de Santana, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Janay Stefany Carneiro","family":"Ara\u00fajo","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Estadual de Feira de Santana","place":["Feira de Santana, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Williams Jorge da Cruz","family":"Mac\u00eado","sequence":"additional","affiliation":[{"name":"Laboratorio de Modelagem Molecular e simula\u00e7\u00e3o de sistemas, Universidade Federal Rural da Amaz\u00f4nia","place":["Capanema, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Cleydson Breno Rodrigues dos","family":"Santos","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-gradua\u00e7\u00e3o em Biodiversidade e Biotecnologia \u2013 Rede BIONORTE, Universidade Federal do Amap\u00e1","place":["Macap\u00e1, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3166-6051","authenticated-orcid":false,"given":"Franco Henrique Andrade","family":"Leite","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Modelagem Molecular, Universidade Estadual de Feira de Santana","place":["Feira de Santana, Brazil"]},{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Estadual de Feira de Santana","place":["Feira de Santana, Brazil"]},{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancias Farmac\u00eauticas, Universidade Estadual de Feira de Santana","place":["Feira de Santana, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2020,7,22]]},"reference":[{"key":"e_1_3_3_2_1","doi-asserted-by":"publisher","DOI":"10.1590\/S0103-50532013000300015"},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1590\/s0074-02762012000700001"},{"key":"e_1_3_3_4_1","volume-title":"Minitab 17 statistical software","author":"Arend D. N.","year":"2010","unstructured":"Arend, D. N. (2010). Minitab 17 statistical software. Minitab."},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci100010v"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/j100308a038"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0009471"},{"key":"e_1_3_3_8_1","doi-asserted-by":"publisher","DOI":"10.2174\/1568026611313090010"},{"key":"e_1_3_3_9_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-012-9565-y"},{"issue":"1","key":"e_1_3_3_10_1","first-page":"26","article-title":"Mal\u00e1ria, maleita, paludismo","volume":"55","author":"Camargo E. P.","year":"2003","unstructured":"Camargo, E. P. (2003). Mal\u00e1ria, maleita, paludismo. Ci\u00eancia e Cultura, 55(1), 26\u201329.","journal-title":"Ci\u00eancia e Cultura"},{"key":"e_1_3_3_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.pt.2009.12.001"},{"key":"e_1_3_3_12_1","unstructured":"Chemaxon. (2015). Marvin Sketch (Version 15.4.20). ChemAxon."},{"key":"e_1_3_3_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540100804"},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"e_1_3_3_15_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M111.274712"},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-0134(19990215)34:3<269::AID-PROT1>3.0.CO;2-3"},{"key":"e_1_3_3_17_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules19067008"},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci900263d"},{"key":"e_1_3_3_19_1","doi-asserted-by":"publisher","DOI":"10.4238\/2011.December.8.2"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/0040-4020(80)80168-2"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.csda.2014.03.008"},{"key":"e_1_3_3_22_1","doi-asserted-by":"publisher","DOI":"10.4103\/2229-5070.149928"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12\u2009<\u20091463::AID-JCC4\u2009>\u20093.0.CO;2-H"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"e_1_3_3_25_1","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-8-460"},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci3001277"},{"key":"e_1_3_3_27_1","doi-asserted-by":"publisher","DOI":"10.1128\/mBio.00235-15"},{"key":"e_1_3_3_28_1","doi-asserted-by":"publisher","DOI":"10.5936\/csbj.201302009"},{"key":"e_1_3_3_29_1","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1002\/3527609164","volume-title":"Pharmacophores and pharmacophore searches","author":"Langer T.","year":"2006","unstructured":"Langer, T., & Hoffman, R. D. (2006). Pharmacophores and pharmacophore searches (p. 395). Wiley VCH Verlag GmbH & Co. KGaA."},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1021\/np070002y"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-ento-120811-153635"},{"key":"e_1_3_3_32_1","unstructured":"Leite F. H. A. (2015). Planejamento e avalia\u00e7\u00e3o de novos inibidores de pteridina redutase 1 (PTR1) de Leishmania major. Tese apresentada ao Programa de P\u00f3s-gradua\u00e7\u00e3o em Biotecnologia [Doutor em Biotecnologia]. Universidade Estadual de Feira de Santana. http:\/\/tede2.uefs.br:8080\/handle\/tede\/279"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1007\/s008940100045"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(96)00423-1"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1134\/S0026893308040195"},{"key":"e_1_3_3_36_1","volume-title":"T\u00f3picos Avan\u00e7ados em Entomologia Molecular","author":"Lorenzo M. G.","year":"2012","unstructured":"Lorenzo, M. G. & Melo, A. C. A. (2012). Olfa\u00e7\u00e3o e comportamento. In T\u00f3picos Avan\u00e7ados em Entomologia Molecular. Instituto Nacional de Ci\u00eancia e Tecnologia em Entomologia Molecular."},{"key":"e_1_3_3_37_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-014-9713-7"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.2147\/AABC.S30881"},{"key":"e_1_3_3_39_1","doi-asserted-by":"publisher","DOI":"10.11606\/T.55.2008.tde-04032009-114050"},{"key":"e_1_3_3_40_1","unstructured":"Minist\u00e9rio da Sa\u00fade. (2010). Guia pr\u00e1tico de tratamento da mal\u00e1ria no Brasil. http:\/\/bvsms.saude.gov.br\/bvs\/publicacoes\/guia_pratico_malaria.pdf"},{"key":"e_1_3_3_41_1","unstructured":"Moraes M. Laumann R. Paula D. Pareja M. Silva C. Vieira H. G. Naime J. D. M. & Borges M. (2008). Eletroantenografia: A antena do inseto como um biossensor. Embrapa Recursos Gen\u00e9ticos e Biotecnologia. Documentos."},{"key":"e_1_3_3_42_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"e_1_3_3_43_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M112.436386"},{"key":"e_1_3_3_44_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm300687e"},{"key":"e_1_3_3_45_1","doi-asserted-by":"publisher","DOI":"10.1590\/S0100-46702008000400002"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10886-010-9739-9"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.5935\/1984-6835.20120055"},{"key":"e_1_3_3_48_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-008-9255-y"},{"key":"e_1_3_3_49_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv315"},{"key":"e_1_3_3_50_1","unstructured":"Santana I. B. (2016). Modelagem comparativa e triagem virtual hier\u00e1rquica para identifica\u00e7\u00e3o de moduladores das OBPs de Lutzomyia longipalpis. Disserta\u00e7\u00e3o apresentada ao Programa de P\u00f3s-gradua\u00e7\u00e3o em Biotecnologia [Mestre em Biotecnologia]. Universidade Estadual de Feira de Santana. http:\/\/tede2.uefs.br:8080\/handle\/tede\/441"},{"key":"e_1_3_3_51_1","volume-title":"Sigma Plot 12.0. (Version 12.0)","author":"Systat","year":"2014","unstructured":"Systat. (2014). Sigma Plot 12.0. (Version 12.0). Systat Software."},{"key":"e_1_3_3_52_1","doi-asserted-by":"publisher","DOI":"10.1002\/1526-4998(200101)57:1<3::AID-PS269>3.0.CO;2-6"},{"key":"e_1_3_3_53_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540151203"},{"key":"e_1_3_3_54_1","volume-title":"Discovery software for computational chemistry and molecular modelling","author":"Tripos","year":"2012","unstructured":"Tripos. (2012). SYBYL-x 2.0. Discovery software for computational chemistry and molecular modelling. Tripos Inc."},{"key":"e_1_3_3_55_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"e_1_3_3_56_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00018-011-0745-z"},{"key":"e_1_3_3_57_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11030-011-9335-0"},{"key":"e_1_3_3_58_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20291"},{"key":"e_1_3_3_59_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.icvts.2004.01.008"},{"key":"e_1_3_3_60_1","first-page":"173","volume-title":"Bioinform\u00e1tica: da biologia \u00e0 flexibilidade moleculares","author":"Verli H.","year":"2014","unstructured":"Verli, H. (2014). Din\u00e2mica Molecular. In Verli, H. (organizador), Bioinform\u00e1tica: da biologia \u00e0 flexibilidade moleculares (1a Edi\u00e7\u00e3o, pp. 173\u2013187). SBBq. ISBN 978-85-69288-00-8","edition":"1"},{"key":"e_1_3_3_61_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-012107151-6\/50016-5"},{"key":"e_1_3_3_62_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2006.10.005"},{"key":"e_1_3_3_63_1","unstructured":"World Health Organization (WHO). (2017a). World Malaria Report. Retrieved December 15 2017 from http:\/\/www.who.int\/malaria\/publications\/world-malaria-report-2017\/report\/en\/."},{"key":"e_1_3_3_64_1","unstructured":"World Health Organization (WHO). (2017b). Leishmaniasis. Retrieved December 15 2017 from http:\/\/www.who.Int\/mediacentre\/factsheets\/fs375\/en\/."}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2020.1796807","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,5]],"date-time":"2026-03-05T11:06:38Z","timestamp":1772708798000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2020.1796807"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,7,22]]},"references-count":63,"journal-issue":{"issue":"16","published-print":{"date-parts":[[2021,11,2]]}},"alternative-id":["10.1080\/07391102.2020.1796807"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2020.1796807","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,7,22]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2019-06-01","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-07-10","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-07-22","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}