Feedback Inhibition of DszC, a Crucial Enzyme for Crude Oil Biodessulfurization

Raw data for docking calculations ran with AutoDock Vina 4 Raw data for conventional MD simulations ran with Gromacs 2018.3 Input files to reproduce all calculations and simulations performed in the work Code written to perform data analysis and represenation Raw data for the analyses leading to the presented and discussed results in the manuscript