Conformational flexibility correlates with glucose tolerance for point mutations in β-glucosidases - a computational study.

Autor: Lima LHF; Laboratory of Molecular Modeling and Bioinformatics, Department of Exact and Biological Sciences (DECEB), Universidade Federal de São João Del-Rei, Sete Lagoas, Brazil., Fernandez-Quintéro ML; Institute of General, Inorganic and Theoretical Chemistry (IGITC), Center for Molecular Biosciences Innsbruck (CMBI), Leopold-Franzens-Universität-Innsbruck, Innsbruck, Austria., Rocha REO; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, 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, Brazil., de Melo-Minardi RC; Laboratory of Bioinformatics and Systems (LBS), Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil., Liedl KR; Institute of General, Inorganic and Theoretical Chemistry (IGITC), Center for Molecular Biosciences Innsbruck (CMBI), Leopold-Franzens-Universität-Innsbruck, Innsbruck, Austria.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2021 Mar; Vol. 39 (5), pp. 1621-1634. Date of Electronic Publication: 2020 Mar 10.