Data For "Finding Druggable Sites in Proteins using TACTICS"

This upload contains data for the TACTICS paper. tactics_output.zip contains the output obtained by running the TACTICS binding-site finding algorithm on three protein systems: the aryl carrier protein (ArCP), the SARS-CoV-2 main protease (M-pro or 3CLpro), and the SARS-CoV-2 2'-O RNA methyltransferase (MTase). MTase.tar.gz contains MD simulation data for the SARS-CoV-2 nsp10/nsp16 dimer (methyltransferase). M-pro.tar.gz contains MD simulation data for the SARS-CoV-2 main protease. ArCP.tar.gz contains MD simulation data for the yersinia pestis aryl carrier protein in apo, holo, and loaded forms