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Autor:
de Castro AA; Center for Natural and Human Sciences, Federal University of ABC, 09280-560, Santo André, Brazil., Silva HF; Department of Chemistry, Federal University of Lavras, 37200-000, Lavras, Brazil., Garcia MVFP; Center for Natural and Human Sciences, Federal University of ABC, 09280-560, Santo André, Brazil., Homem-de-Mello P; Center for Natural and Human Sciences, Federal University of ABC, 09280-560, Santo André, Brazil., Ramalho TC; Department of Chemistry, Federal University of Lavras, 37200-000, Lavras, Brazil.; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic.
Publikováno v:
Current medicinal chemistry [Curr Med Chem] 2024 Sep 05. Date of Electronic Publication: 2024 Sep 05.
Autor:
Silva MC; Department of Natural Sciences (DCNAT), Federal University of São João del-Rei, São João del Rei, Brazil. Electronic address: crisiria@ufsj.edu.br., de Castro AA; Department of Chemistry, Federal University of Lavras, Lavras, Brazil., Lopes KL; Department of Natural Sciences (DCNAT), Federal University of São João del-Rei, São João del Rei, Brazil., Ferreira IFL; Department of Natural Sciences (DCNAT), Federal University of São João del-Rei, São João del Rei, Brazil., Bretz RR; Department of Natural Sciences (DCNAT), Federal University of São João del-Rei, São João del Rei, Brazil., Ramalho TC; Department of Chemistry, Federal University of Lavras, Lavras, Brazil; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic.
Publikováno v:
Chemosphere [Chemosphere] 2023 Dec; Vol. 344, pp. 140302. Date of Electronic Publication: 2023 Oct 01.
Autor:
Oliveira SSC; Laboratório de Estudos Avançados de Microrganismos Emergentes e Resistentes (LEAMER), Departamento de Microbiologia Geral, Instituto de Microbiologia Paulo de Góes (IMPG), Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro 21941-901, Brazil., Correia CA; Laboratório de Estudos Avançados de Microrganismos Emergentes e Resistentes (LEAMER), Departamento de Microbiologia Geral, Instituto de Microbiologia Paulo de Góes (IMPG), Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro 21941-901, Brazil., Santos VS; Laboratório de Estudos Avançados de Microrganismos Emergentes e Resistentes (LEAMER), Departamento de Microbiologia Geral, Instituto de Microbiologia Paulo de Góes (IMPG), Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro 21941-901, Brazil., da Cunha EFF; Laboratório de Modelagem Molecular, Departamento de Química, Universidade Federal de Lavras, Lavras 37200-000, Brazil., de Castro AA; Laboratório de Modelagem Molecular, Departamento de Química, Universidade Federal de Lavras, Lavras 37200-000, Brazil., Ramalho TC; Laboratório de Modelagem Molecular, Departamento de Química, Universidade Federal de Lavras, Lavras 37200-000, Brazil., Devereux M; The Centre for Biomimetic & Therapeutic Research, Focas Research Institute, Technological University Dublin, D08 CKP1 Dublin, Ireland., McCann M; Chemistry Department, Maynooth University, W23 F2H6 Maynooth, Ireland., Branquinha MH; Laboratório de Estudos Avançados de Microrganismos Emergentes e Resistentes (LEAMER), Departamento de Microbiologia Geral, Instituto de Microbiologia Paulo de Góes (IMPG), Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro 21941-901, Brazil., Santos ALS; Laboratório de Estudos Avançados de Microrganismos Emergentes e Resistentes (LEAMER), Departamento de Microbiologia Geral, Instituto de Microbiologia Paulo de Góes (IMPG), Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro 21941-901, Brazil.; Programa de Pós-Graduação em Bioquímica (PPGBq), Instituto de Química (IQ), Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro 21941-909, Brazil.
Publikováno v:
Tropical medicine and infectious disease [Trop Med Infect Dis] 2023 Jun 30; Vol. 8 (7). Date of Electronic Publication: 2023 Jun 30.
Autor:
Benatto VG; Laboratory of Nanotechnology and Computational Chemistry, Federal University of Technology - Paraná, Londrina 86036-370, Brazil., de Jesus JPA; Laboratory of Nanotechnology and Computational Chemistry, Federal University of Technology - Paraná, Londrina 86036-370, Brazil., de Castro AA; Department of Chemistry, Federal University of Lavras, Lavras 37200-000, Brazil., Assis LC; Department of Chemistry, Federal University of Lavras, Lavras 37200-000, Brazil., Ramalho TC; Department of Chemistry, Federal University of Lavras, Lavras 37200-000, Brazil., La Porta FA; Laboratory of Nanotechnology and Computational Chemistry, Federal University of Technology - Paraná, Londrina 86036-370, Brazil.
Publikováno v:
Materials today. Communications [Mater Today Commun] 2023 Mar; Vol. 34, pp. 105192. Date of Electronic Publication: 2022 Dec 17.
Autor:
Ramalho TC; Department of Chemistry, Federal University of Lavras, Lavras, Brazil.; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic., de Castro AA; Department of Chemistry, Federal University of Lavras, Lavras, Brazil., Leal DHS; Institute of Physics and Chemistry, Federal University of Itajuba, Itajuba, Brazil., Teixeira JP; Department of Chemistry, Federal University of Lavras, Lavras, Brazil., da Cunha EFF; Department of Chemistry, Federal University of Lavras, Lavras, Brazil., Kuca K; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic.; Andalusian Research Institute in Data Science and Computational Intelligence (DaSCI), University of Granada, 18071 Granada, Spain.
Publikováno v:
Current medicinal chemistry [Curr Med Chem] 2023; Vol. 30 (36), pp. 4149-4166.
Autor:
Assis LC; Department of Chemistry, Federal University of Lavras CEP 37200-000 Lavras Minas Gerais Brazil kamil.kuca@uhk.cz felipelaporta@utfpr.edu.br., de Castro AA; Department of Chemistry, Federal University of Lavras CEP 37200-000 Lavras Minas Gerais Brazil kamil.kuca@uhk.cz felipelaporta@utfpr.edu.br., de Jesus JPA; Post-graduation Program in Materials Science and Engineering and Laboratory of Nanotechnology and Computational Chemistry, Federal Technological University of Paraná Avenida dos Pioneiros 3131 86036-370 Londrina Paraná Brazil., da Cunha EFF; Department of Chemistry, Federal University of Lavras CEP 37200-000 Lavras Minas Gerais Brazil kamil.kuca@uhk.cz felipelaporta@utfpr.edu.br., Nepovimova E; Department of Chemistry, Faculty of Science, University of Hradec Kralove Hradec Kralove Czech Republic., Krejcar O; Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove Hradec Kralove Czech Republic., Kuca K; Department of Chemistry, Faculty of Science, University of Hradec Kralove Hradec Kralove Czech Republic., Ramalho TC; Department of Chemistry, Federal University of Lavras CEP 37200-000 Lavras Minas Gerais Brazil kamil.kuca@uhk.cz felipelaporta@utfpr.edu.br.; Department of Chemistry, Faculty of Science, University of Hradec Kralove Hradec Kralove Czech Republic., La Porta FA; Post-graduation Program in Materials Science and Engineering and Laboratory of Nanotechnology and Computational Chemistry, Federal Technological University of Paraná Avenida dos Pioneiros 3131 86036-370 Londrina Paraná Brazil.
Publikováno v:
RSC advances [RSC Adv] 2021 Nov 01; Vol. 11 (56), pp. 35228-35244. Date of Electronic Publication: 2021 Nov 01 (Print Publication: 2021).
Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspective.
Autor:
de Jesus JPA; Laboratory of Nanotechnology and Computational Chemistry, Federal Technological University of Paraná, Avenida dos Pioneiros 3131, Londrina, Paraná, CEP 86036-370, Brazil., Assis LC; Department of Chemistry, Federal University of Lavras, Lavras, Minas Gerais, CEP 37200-000, Brazil., de Castro AA; Department of Chemistry, Federal University of Lavras, Lavras, Minas Gerais, CEP 37200-000, Brazil., da Cunha EFF; Department of Chemistry, Federal University of Lavras, Lavras, Minas Gerais, CEP 37200-000, Brazil., Nepovimova E; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, 500 03, Hradec Králové, Czech Republic., Kuca K; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, 500 03, Hradec Králové, Czech Republic. kamil.kuca@uhk.cz., de Castro Ramalho T; Department of Chemistry, Federal University of Lavras, Lavras, Minas Gerais, CEP 37200-000, Brazil.; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, 500 03, Hradec Králové, Czech Republic., de Almeida La Porta F; Laboratory of Nanotechnology and Computational Chemistry, Federal Technological University of Paraná, Avenida dos Pioneiros 3131, Londrina, Paraná, CEP 86036-370, Brazil. felipelaporta@utfpr.edu.br.
Publikováno v:
Scientific reports [Sci Rep] 2021 Oct 07; Vol. 11 (1), pp. 19998. Date of Electronic Publication: 2021 Oct 07.
Bulk and surface theoretical investigation of Nb-doped δ-FeOOH as a promising bifunctional catalyst.
Autor:
Lacerda LCT; Federal Institute of the North of Minas Gerais, Pirapora Unit. Av. Humberto Mallard, 1355, Pirapora, MG, , 39270-000, Brazil.; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras, MG, 37200-000, Brazil., Pires MS; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras, MG, 37200-000, Brazil.; Federal Center of Technological Education of Minas Gerais, Varginha Unit, Av Imigrantes, Varginha, MG, Brazil., Oliveira ISS; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic., Silva TC; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras, MG, 37200-000, Brazil., de Castro AA; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras, MG, 37200-000, Brazil., Corrêa S; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras, MG, 37200-000, Brazil., Vaiss VS; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras, MG, 37200-000, Brazil., Ramalho TC; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras, MG, 37200-000, Brazil. teo@ufla.br.; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic. teo@ufla.br.
Publikováno v:
Journal of molecular modeling [J Mol Model] 2021 Aug 13; Vol. 27 (9), pp. 249. Date of Electronic Publication: 2021 Aug 13.
Autor:
Horikoshi RJ; Bayer Crop Science, Santa Cruz das Palmeiras, Brazil., Vertuan H; Bayer Crop Science, Santa Cruz das Palmeiras, Brazil., de Castro AA; Bayer Crop Science, Santa Cruz das Palmeiras, Brazil., Morrell K; Plant Biotechnology, Bayer Crop Science US, Chesterfield, MO, USA., Griffith C; Plant Biotechnology, Bayer Crop Science US, Chesterfield, MO, USA., Evans A; Plant Biotechnology, Bayer Crop Science US, Chesterfield, MO, USA., Tan J; Regulatory Science, Bayer Crop Science US, Chesterfield, MO, USA., Asiimwe P; Regulatory Science, Bayer Crop Science US, Chesterfield, MO, USA., Anderson H; Regulatory Science, Bayer Crop Science US, Chesterfield, MO, USA., José MOMA; Bayer Crop Science, São Paulo, Brazil., Dourado PM; Bayer Crop Science, São Paulo, Brazil., Berger G; Bayer Crop Science, São Paulo, Brazil., Martinelli S; Regulatory Science, Bayer Crop Science US, Chesterfield, MO, USA., Head G; Regulatory Science, Bayer Crop Science US, Chesterfield, MO, USA.
Publikováno v:
Pest management science [Pest Manag Sci] 2021 Aug; Vol. 77 (8), pp. 3727-3736. Date of Electronic Publication: 2021 Apr 01.