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Leonardo Henrique Franca de Lima, Monica Lisa Fernandez-Quintéro, Rafael Eduardo Oliveira Rocha, Diego César Batista Mariano, Raquel Cardoso de Melo-Minardi & Klaus Roman Liedl. (2021) Conformational flexibility correlates with glucose tolerance for point mutations in β-glucosidases – a computational study. Journal of Biomolecular Structure and Dynamics 39:5, pages 1621-1634.
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Dhiraj Kumar Choudhary, Navaneet Chaturvedi, Amit Singh & Abha Mishra. (2020) Characterization, inhibitory activity and mechanism of polyphenols from faba bean (gallic-acid and catechin) on α-glucosidase: insights from molecular docking and simulation study. Preparative Biochemistry & Biotechnology 50:2, pages 123-132.
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Sneha Sahu, Sayani Ghosh, Sushant K. Sinha, Supratim Datta & Neelanjana Sengupta. (2023) Thermal Sensitivity of the Enzymatic Activity of β-Glucosidase: Simulations Lend Mechanistic Insights into Experimental Observations. Biochemistry 62:23, pages 3440-3452.
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Rafael Eduardo Oliveira Rocha, Diego César Batista Mariano, Tiago Silva Almeida, Leon Sulfierry CorrêaCosta, Pedro Henrique Camargo Fischer, Lucianna Helene Santos, Ernesto Raul Caffarena, Carlos Henrique da Silveira, Leonida M. Lamp, Monica Lisa Fernandez‐Quintero, Klaus Roman Liedl, Raquel Cardoso de Melo‐Minardi & Leonardo Henrique França de Lima. (2022)
Thermostabilizing mechanisms of canonical single amino acid substitutions at a
GH1
β‐glucosidase probed by multiple
MD
and computational approaches
. Proteins: Structure, Function, and Bioinformatics 91:2, pages 218-236.
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Jyoti Srivastava, Joyabrata Mal, Manju Verma, Sukhendra Singh & Rupika Sinha. (2022) In silico investigation of endoglucanase produced by Bacillus inaquosorum KCTC 13429 for valorisation of lignocellulosic biomass. Biomass Conversion and Biorefinery.
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Suman Yadav, Anand Kumar Pandey & Suresh Kumar Dubey. (2021) Molecular modeling, docking and simulation dynamics of β-glucosidase reveals high-efficiency, thermo-stable, glucose tolerant enzyme in Paenibacillus lautus BHU3 strain. International Journal of Biological Macromolecules 168, pages 371-382.
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Pritam Biswas, Aniruddha Adhikari, Uttam Pal, Priya Singh, Monojit Das, Tanusri Saha-Dasgupta, Sudeshna Shyam Choudhury, Ranjan Das & Samir Kumar Pal. (2020) Flexibility modulates the catalytic activity of a thermostable enzyme: key information from optical spectroscopy and molecular dynamics simulation. Soft Matter 16:12, pages 3050-3062.
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Hassan Rasouli, Masomeh Mehrabi, Seyed Shahriar Arab & Reza Khodarahmi. (2017) Are Pro8/Pro18 really critical for functional dynamic behavior of human endostatin N-terminal peptide? A comparative molecular dynamics study. Journal of the Iranian Chemical Society 14:9, pages 2023-2039.
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