Insights into the Binding Mechanism of Ascorbic Acid and Violaxanthin with Violaxanthin De-Epoxidase (VDE) and Chlorophycean Violaxanthin De-Epoxidase (CVDE) Enzymes: Docking, Molecular Dynamics, and Free Energy Analysis
S. Biswal, P. S. Sen Gupta, H. R. Bhat, M. K. Rana
The paper investigates the binding mechanisms of ascorbic acid and violaxanthin with VDE and CVDE enzymes using docking, molecular dynamics, and free energy analysis, revealing differences in substrate interactions between the enzymes.
bioRxiv · Jun 7, 2020 · PreprintPlant Biology