Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 β-glucosidase probed by multiple MD and computational approaches.

Autor: Rocha REO; Laboratory of Molecular Modelling and Bioinformatics (LAMMB), Department of Physical and Biological Sciences, Campus Sete Lagoas, Universidade Federal de São João Del Rei, Sete Lagoas, Brazil.; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil.; Laboratory of Molecular Modeling and Drug Design, Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil., Mariano DCB; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil., Almeida TS; Laboratory of Molecular Modelling and Bioinformatics (LAMMB), Department of Physical and Biological Sciences, Campus Sete Lagoas, Universidade Federal de São João Del Rei, Sete Lagoas, Brazil., CorrêaCosta LS; Laboratory of Molecular Modelling and Bioinformatics (LAMMB), Department of Physical and Biological Sciences, Campus Sete Lagoas, Universidade Federal de São João Del Rei, Sete Lagoas, Brazil.; Computational Modeling Coordination (COMOD), Laboratório Nacional de Computação Científica (LNCC), Petrópolis, Brazil., Fischer PHC; Laboratory of Molecular Modelling and Bioinformatics (LAMMB), Department of Physical and Biological Sciences, Campus Sete Lagoas, Universidade Federal de São João Del Rei, Sete Lagoas, Brazil., Santos LH; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil.; Laboratory of Molecular Modeling and Drug Design, Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil., Caffarena ER; Scientific Computing Program, Fiocruz, Rio de Janeiro, Brazil., da Silveira CH; Technological Sciences Institute, Universidade Federal de Itajubá, Itabira, Minas Gerais, Brazil., Lamp LM; Institute of General, Inorganic and Theoretical Chemistry, and Center for Chemistry and Biomedicine Innsbruck (CCB), University of Innsbruck, Innsbruck, Austria., Fernandez-Quintero ML; Institute of General, Inorganic and Theoretical Chemistry, and Center for Chemistry and Biomedicine Innsbruck (CCB), University of Innsbruck, Innsbruck, Austria., Liedl KR; Institute of General, Inorganic and Theoretical Chemistry, and Center for Chemistry and Biomedicine Innsbruck (CCB), University of Innsbruck, Innsbruck, Austria., de Melo-Minardi RC; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil., de Lima LHF; Laboratory of Molecular Modelling and Bioinformatics (LAMMB), Department of Physical and Biological Sciences, Campus Sete Lagoas, Universidade Federal de São João Del Rei, Sete Lagoas, Brazil.; Institute of General, Inorganic and Theoretical Chemistry, and Center for Chemistry and Biomedicine Innsbruck (CCB), University of Innsbruck, Innsbruck, Austria.

Publikováno v: Proteins [Proteins] 2023 Feb; Vol. 91 (2), pp. 218-236. Date of Electronic Publication: 2022 Oct 10.

Molecular Dynamics Gives New Insights into the Glucose Tolerance and Inhibition Mechanisms on β-Glucosidases.

Autor: Costa LSC; Laboratory of Molecular and Bioinformatics Modeling, Department of Exact and Biological Sciences (DECEB), Universidade Federal de São João Del-Rei, Campus Sete Lagoas, Sete Lagoas 35701-970, Brazil., Mariano DCB; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, Brazil., Rocha REO; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, Brazil.; Laboratory of Molecular Modeling and Drug Design, Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, Brazil., Kraml J; Institute of General, Inorganic and Theoretical Chemistry (IGITC), Center for Molecular Biosciences Innsbruck (CMBI), Leopold-Franzens-Universität-Innsbruck, Innrain 82, 6020 Innsbruck, Austria., Silveira CHD; Institute of Technological Sciences, Universidade Federal de Itajubá, Campus Itabira, Itabira 35903-087, Brazil., Liedl KR; Institute of General, Inorganic and Theoretical Chemistry (IGITC), Center for Molecular Biosciences Innsbruck (CMBI), Leopold-Franzens-Universität-Innsbruck, Innrain 82, 6020 Innsbruck, Austria., de Melo-Minardi RC; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, Brazil., Lima LHF; Laboratory of Molecular and Bioinformatics Modeling, Department of Exact and Biological Sciences (DECEB), Universidade Federal de São João Del-Rei, Campus Sete Lagoas, Sete Lagoas 35701-970, Brazil. leofrancalima@ufsj.edu.br.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2019 Sep 04; Vol. 24 (18). Date of Electronic Publication: 2019 Sep 04.

Transcriptome analysis of Corynebacterium pseudotuberculosis biovar Equi in two conditions of the environmental stress.

Autor: Gomide ACP; Department of General Biology, Institute of Biological Sciences, Federal University of Minas Gerais, Av. Antônio Carlos, Belo Horizonte 31.270-901, Brazil. Electronic address: acybelle@gmail.com., Ibraim IC; Department of General Biology, Institute of Biological Sciences, Federal University of Minas Gerais, Av. Antônio Carlos, Belo Horizonte 31.270-901, Brazil., Alves JTC; Laboratory of Genomic and Bioinformatics, Center of Genomics and System Biology, Institute of Biological Science, Federal University of Para, Belém, Pará, Brazil, Rua Augusto Corrêa, Belém 66.075-110, Brazil., de Sá PG; Federal Rural University of Amazonia, Rodovia PA 140, 2428 Tomé-Açu, PA, Brazil., de Oliveira Silva YR; Laboratory of Genomic and Bioinformatics, Center of Genomics and System Biology, Institute of Biological Science, Federal University of Para, Belém, Pará, Brazil, Rua Augusto Corrêa, Belém 66.075-110, Brazil., Santana MP; Department of General Biology, Institute of Biological Sciences, Federal University of Minas Gerais, Av. Antônio Carlos, Belo Horizonte 31.270-901, Brazil., Silva WM; National Institute of Agricultural Technology, Los Reseros y Nicolás Repetto, Hurlingham 1686, Argentina., Folador EL; Biotechnology Center, Federal University of Paraíba, João Pessoa, Brazil. Electronic address: elf@cbiotec.ufpb.br., Mariano DCB; Department of Computer Sciences, Institute of Exact Sciences, Federal University of Minas Gerais, Av. Antônio Carlos, Belo Horizonte 31.270-901, Brazil. Electronic address: diegomariano@ufmg.br., de Paula Castro TL; Department of Biointeraction, Institute of Health Sciences, Federal University of Bahia, Av. Reitor Miguel Calmon, s/n, Vale do Canela, Bahia, Brazil., Barbosa S; Laboratory of Genomic and Bioinformatics, Center of Genomics and System Biology, Institute of Biological Science, Federal University of Para, Belém, Pará, Brazil, Rua Augusto Corrêa, Belém 66.075-110, Brazil., Dorella FA; AQUACEN - National Reference Laboratory of Aquatic Animal Diseases, Ministry of Fisheries and Aquaculture, Veterinary School, Federal University of Minas Gerais, Belo Horizonte, Brazil., Carvalho AF; AQUACEN - National Reference Laboratory of Aquatic Animal Diseases, Ministry of Fisheries and Aquaculture, Veterinary School, Federal University of Minas Gerais, Belo Horizonte, Brazil., Pereira FL; AQUACEN - National Reference Laboratory of Aquatic Animal Diseases, Ministry of Fisheries and Aquaculture, Veterinary School, Federal University of Minas Gerais, Belo Horizonte, Brazil. Electronic address: felipe@flpsw.com.br., Leal CAG; AQUACEN - National Reference Laboratory of Aquatic Animal Diseases, Ministry of Fisheries and Aquaculture, Veterinary School, Federal University of Minas Gerais, Belo Horizonte, Brazil. Electronic address: carlosleal@vet.ufmg.br., Figueiredo HCP; AQUACEN - National Reference Laboratory of Aquatic Animal Diseases, Ministry of Fisheries and Aquaculture, Veterinary School, Federal University of Minas Gerais, Belo Horizonte, Brazil., Azevedo V; Department of General Biology, Institute of Biological Sciences, Federal University of Minas Gerais, Av. Antônio Carlos, Belo Horizonte 31.270-901, Brazil. Electronic address: vasco@icb.ufmg.br., Silva A; Laboratory of Genomic and Bioinformatics, Center of Genomics and System Biology, Institute of Biological Science, Federal University of Para, Belém, Pará, Brazil, Rua Augusto Corrêa, Belém 66.075-110, Brazil. Electronic address: asilva@ufpa.br., Folador ARC; Laboratory of Genomic and Bioinformatics, Center of Genomics and System Biology, Institute of Biological Science, Federal University of Para, Belém, Pará, Brazil, Rua Augusto Corrêa, Belém 66.075-110, Brazil. Electronic address: adrianarc@ufpa.br.

Publikováno v: Gene [Gene] 2018 Nov 30; Vol. 677, pp. 349-360. Date of Electronic Publication: 2018 Aug 08.