Molecular dynamics simulations of two GH74 endo-processive xyloglucanases and the mutated variants to understand better the mechanism of the enzyme action
Published: 30 August 2020| Version 2 | DOI: 10.17632/3g2gmpv8g2.2
Contributors:
Alexander Gusakov, Igor Uporov, Olga SinitsynaDescription
In Gusakov et al. (BBA - General Subjects, 2020) we carried out the MD simulations of variants of endo-processive xyloglucanases from Paenibacillus odorifer (PoGH74cat) and Myceliophthora thermophila (MtXeg74A). These are original data of this study demonstrating the simulated enzyme structures over the 200 ns MD trajectory shown through the 0.2 ns interval (1000 structures in total in each case).
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Institutions
Moskovskij gosudarstvennyj universitet imeni M V Lomonosova
Categories
Molecular Mechanics with Molecular Dynamics