Published February 16, 2021
| Version v1
Dataset
Open
Data For "Finding Druggable Sites in Proteins using TACTICS"
Creators
- 1. Department of Biophysics and Biophysical Chemistry, Johns Hopkins University School of Medicine, Baltimore, MD 21205, USA
- 2. Department of Biochemistry and Molecular Biology, Johns Hopkins Bloomberg School of Public Health, Baltimore, MD 21205, USA
Description
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