Published September 7, 2024
| Version 1.0
Dataset
Open
Data for manuscript: The Conformational Space of the SARS-CoV-2 Main Protease Active Site Loops is Determined by Ligand Binding and Interprotomer Allostery
Description
The data is provided as a part of the manuscript "The Conformational Space of the SARS-CoV-2 Main Protease Active Site Loops is Determined by Ligand Binding and Interprotomer Allostery". This repository includes an archive with folders:
md_data
- a directory with MD data for all simulation systems considered in the manuscript. Initial and final conformations are provided.
fig_data
- a directory with the data underlying all the main text in the manuscript.
Videos S1-S3 are also included.
