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Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 ß-glucosidase probed by multiple MD and computational approaches.
Rocha, Rafael Eduardo Oliveira; Mariano, Diego César Batista; Almeida, Tiago Silva; CorrêaCosta, Leon Sulfierry; Fischer, Pedro Henrique Camargo; Santos, Lucianna Helene; Caffarena, Ernesto Raul; da Silveira, Carlos Henrique; Lamp, Leonida M; Fernandez-Quintero, Monica Lisa; Liedl, Klaus Roman; de Melo-Minardi, Raquel Cardoso; de Lima, Leonardo Henrique França.
Afiliación
  • 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.
  • 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 Modeling and Drug Design, Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil.
  • CorrêaCosta LS; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, 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 Molecular Modelling and Bioinformatics (LAMMB), Department of Physical and Biological Sciences, Campus Sete Lagoas, Universidade Federal de São João Del Rei, Sete Lagoas, Brazil.
  • Caffarena ER; Computational Modeling Coordination (COMOD), Laboratório Nacional de Computação Científica (LNCC), Petrópolis, Brazil.
  • da Silveira CH; 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.
  • Lamp LM; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, Brazil.
  • Fernandez-Quintero ML; Laboratory of Molecular Modeling and Drug Design, Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil.
  • Liedl KR; Scientific Computing Program, Fiocruz, Rio de Janeiro, Brazil.
  • de Melo-Minardi RC; Technological Sciences Institute, Universidade Federal de Itajubá, Itabira, Minas Gerais, Brazil.
  • de Lima LHF; Institute of General, Inorganic and Theoretical Chemistry, and Center for Chemistry and Biomedicine Innsbruck (CCB), University of Innsbruck, Innsbruck, Austria.
Proteins ; 91(2): 218-236, 2023 02.
Article en En | MEDLINE | ID: mdl-36114781
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Beta-Glucosidasa / Biocombustibles Idioma: En Año: 2023 Tipo del documento: Article
Texto completo
Imprimir
XML
PubMed Links
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Beta-Glucosidasa / Biocombustibles Idioma: En Año: 2023 Tipo del documento: Article