Dataset of the Article "Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulation"
Farzin Sohraby, Hassan Aryapour · Zenodo (CERN European Organization for Nuclear Research) · 2021
This dataset contains the trajectory files of the SuMD simulation of the unbinding pathways of SARS-CoV-2 Plpro's known inhibitors. The result of this data will be published as an article entitled: "Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulation".