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Cry gene from <jats:italic>Bacillus thuringiensis kurstaki<\/jats:italic> expresses protein derivatives of crystalline endotoxins which confer insect resistance onto the maize crop. Mandatory labeling of processed food containing or made by genetically modified organisms is in force in many countries, so, it is very urgent to develop fast and practical methods for GMO identification, for example, biosensors. In the absence of an available empirical structure of Cry1A(b)16 protein, a theoretical model was effectively generated, in this work, by homology modeling and molecular dynamics simulations based on two available homologous protein structures. Molecular dynamics simulations were carried out to refine the selected model, and an analysis of its global structure was performed. The refined models of Cry1A(b)16 showed a standard fold and structural characteristics similar to those seen in <jats:italic>Bacillus thuringiensis<\/jats:italic> Cry1A(a) insecticidal toxin and <jats:italic>Bacillus thuringiensis serovar kurstaki<\/jats:italic> Cry1A(c) toxin. After <jats:italic>in silico<\/jats:italic> analysis of Cry1A(b)16, two immunoreactive candidate peptides were selected and specific polyclonal antibodies were produced resulting in antibody\u2013peptide interaction. Biosensing devices are expected to be developed for detection of the Cry1A(b) protein as a marker of transgenic maize in food. Proteins 2017; 85:1248\u20131257. \u00a9 2017 Wiley Periodicals, Inc.<\/jats:p>","DOI":"10.1002\/prot.25285","type":"journal-article","created":{"date-parts":[[2017,3,19]],"date-time":"2017-03-19T05:58:59Z","timestamp":1489903139000},"page":"1248-1257","source":"Crossref","is-referenced-by-count":3,"title":["Cry1A(b)16 toxin from <i>Bacillus thuringiensis<\/i>: Theoretical refinement of three\u2010dimensional structure and prediction of peptides as molecular markers for detection of genetically modified organisms"],"prefix":"10.1002","volume":"85","author":[{"given":"Alexandra","family":"Pl\u00e1cido","sequence":"first","affiliation":[{"name":"REQUIMTE\u2010LAQV, Instituto Superior de Engenharia do Porto, Instituto Polit\u00e9cnico do Porto Porto Portugal"}]},{"given":"Andreia","family":"Coelho","sequence":"additional","affiliation":[{"name":"REQUIMTE\u2010LAQV, Instituto Superior de Engenharia do Porto, Instituto Polit\u00e9cnico do Porto Porto Portugal"}]},{"given":"Lucas","family":"Abreu Nascimento","sequence":"additional","affiliation":[{"name":"Grupo de Qu\u00edmica Qu\u00e2ntica Computacional e Planejamento de F\u00e1rmaco, GQQCPF, Departamento de Qu\u00edmica, Universidade Estadual do Piau\u00ed UESPI Teresina Brasil"},{"name":"Laborat\u00f3rio de Pesquisa em Sistemas de Informa\u00e7\u00e3o, LaPeSI, Departamento de Informa\u00e7\u00e3o, Ambiente Sa\u00fade e Produ\u00e7\u00e3o Aliment\u00edcia, Instituto Federal do Piau\u00ed Teresina Brasil"}]},{"given":"Andreanne","family":"Gomes Vasconcelos","sequence":"additional","affiliation":[{"name":"N\u00facleo de Pesquisa em Biodiversidade e Biotecnologia, Biotec, Campus Ministro Reis Velloso, Universidade Federal do Piau\u00ed Parna\u00edba Brasil"}]},{"given":"Maria","family":"F\u00e1tima Barroso","sequence":"additional","affiliation":[{"name":"REQUIMTE\u2010LAQV, Instituto Superior de Engenharia do Porto, Instituto Polit\u00e9cnico do Porto Porto Portugal"}]},{"given":"Joilson","family":"Ramos\u2010Jesus","sequence":"additional","affiliation":[{"name":"N\u00facleo de Pesquisa em Biodiversidade e Biotecnologia, Biotec, Campus Ministro Reis Velloso, Universidade Federal do Piau\u00ed Parna\u00edba Brasil"}]},{"given":"Vladimir","family":"Costa","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Pesquisas em Leishmanioses, Instituto de Doen\u00e7as Tropicais Natan Portela, IDTNP Teresina Piau\u00ed Brasil"}]},{"given":"Francisco","family":"das Chagas Alves Lima","sequence":"additional","affiliation":[{"name":"Grupo de Qu\u00edmica Qu\u00e2ntica Computacional e Planejamento de F\u00e1rmaco, GQQCPF, Departamento de Qu\u00edmica, Universidade Estadual do Piau\u00ed UESPI Teresina Brasil"}]},{"given":"Cristina","family":"Delerue\u2010Matos","sequence":"additional","affiliation":[{"name":"REQUIMTE\u2010LAQV, Instituto Superior de Engenharia do Porto, Instituto Polit\u00e9cnico do Porto Porto Portugal"}]},{"given":"Ricardo","family":"Martins Ramos","sequence":"additional","affiliation":[{"name":"Grupo de Qu\u00edmica Qu\u00e2ntica Computacional e Planejamento de F\u00e1rmaco, GQQCPF, Departamento de Qu\u00edmica, Universidade Estadual do Piau\u00ed UESPI Teresina Brasil"},{"name":"Laborat\u00f3rio de Pesquisa em Sistemas de Informa\u00e7\u00e3o, LaPeSI, Departamento de Informa\u00e7\u00e3o, Ambiente Sa\u00fade e Produ\u00e7\u00e3o Aliment\u00edcia, Instituto Federal do Piau\u00ed Teresina Brasil"}]},{"given":"Mariela M.","family":"Marani","sequence":"additional","affiliation":[{"name":"IPEEC\u2010CONICET, Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas Puerto Madryn Argentina"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1096-3236","authenticated-orcid":false,"given":"Jos\u00e9","family":"Roberto de Souza de Almeida Leite","sequence":"additional","affiliation":[{"name":"\u00c1rea de Morfologia, Faculdade de Medicina, FM, Campus Universit\u00e1rio Darcy Ribeiro, Universidade de Bras\u00edlia, UnB Bras\u00edlia Brasil"}]}],"member":"311","published-online":{"date-parts":[[2017,4,18]]},"reference":[{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1057\/jcb.2010.24"},{"key":"e_1_2_6_3_1","article-title":"Genetically modified food: A review on mechanism of production and labeling concern","volume":"1","author":"Singh A","year":"2014","journal-title":"Adv Plants Agric Res"},{"key":"e_1_2_6_4_1","first-page":"1","article-title":"Directive 2001\/18\/EC of the European Parliament and of the Council of 12 March 2001 on the deliberate release into the environment of genetically modified organisms and repealing Council Directive 90\/220\/EEC","volume":"106","author":"Commission E.","year":"2001","journal-title":"Off J Eur Union"},{"key":"e_1_2_6_5_1","unstructured":"JamesC.20thAnniversary of the global commercialization of biotech crops (1996 to 2015) and biotech crop highlights in 2015. 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