Molecular Dynamic simulation of the 3CL protease of SRAS-CoV-2 with peptide substrate in the active sites. See description in https://doi.org/10.26434/chemrxiv.12501734.v1
Trajectory of the TS of the acylation step in 3CL protease of SARS-CoV-2 at b3LYPD3/6-31+G*/MM level as described in https://doi.org/10.26434/chemrxiv.12501734.v1
Parameters file for Amber
