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

Author:

Rocha Rafael Eduardo Oliveira123ORCID,Mariano Diego César Batista2,Almeida Tiago Silva1,CorrêaCosta Leon Sulfierry14,Fischer Pedro Henrique Camargo1,Santos Lucianna Helene23,Caffarena Ernesto Raul5,da Silveira Carlos Henrique6ORCID,Lamp Leonida M.7,Fernandez‐Quintero Monica Lisa7,Liedl Klaus Roman7ORCID,de Melo‐Minardi Raquel Cardoso2,de Lima Leonardo Henrique França17ORCID

Affiliation:

1. 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

2. Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science Universidade Federal de Minas Gerais Belo Horizonte Minas Gerais Brazil

3. Laboratory of Molecular Modeling and Drug Design, Department of Biochemistry and Immunology Universidade Federal de Minas Gerais Belo Horizonte Brazil

4. Computational Modeling Coordination (COMOD) Laboratório Nacional de Computação Científica (LNCC) Petrópolis Brazil

5. Scientific Computing Program Fiocruz Rio de Janeiro Brazil

6. Technological Sciences Institute Universidade Federal de Itajubá Itabira Minas Gerais Brazil

7. Institute of General, Inorganic and Theoretical Chemistry, and Center for Chemistry and Biomedicine Innsbruck (CCB) University of Innsbruck Innsbruck Austria

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Wiley

Subject

Molecular Biology,Biochemistry,Structural Biology

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