Dataset of the Article "Reconstruction of the unbinding pathways of new inhibitors of the SARS-CoV-2 Papain-like protease using molecular dynamics simulation"
Pouya Rahebi, Hassan Aryapour · Zenodo (CERN European Organization for Nuclear Research) · 2023
This dataset contains concatenated trajectory files of the SuMD simulation of the unbinding pathways of the new inhibitors for SARS-CoV-2 papain-like protease. This data will be published in an article titled: "Reconstruction of the unbinding pathways of new inhibitors of the SARS-CoV-2 Papain-like protease using molecular dynamics simulation".