https://github.com/peppone98/mpro_h164n

Project of the Computational Biophysics exam @Unitn. We simulated the SARS-CoV-2 main protease Mpro with the H164N mutation in complex with two CG-376 ligands
https://github.com/peppone98/mpro_h164n

biophysics gromacs molecular-dynamics python sars-cov-2

Last synced: about 1 month ago
JSON representation

Project of the Computational Biophysics exam @Unitn. We simulated the SARS-CoV-2 main protease Mpro with the H164N mutation in complex with two CG-376 ligands

• Host: GitHub
• URL: https://github.com/peppone98/mpro_h164n
• Owner: Peppone98
• Created: 2024-03-06T14:09:25.000Z (11 months ago)
• Default Branch: main
• Last Pushed: 2024-03-06T14:32:38.000Z (11 months ago)
• Last Synced: 2024-03-06T15:48:04.374Z (11 months ago)
• Topics: biophysics, gromacs, molecular-dynamics, python, sars-cov-2
• Homepage:
• Size: 9.12 MB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

Awesome Lists containing this project

README

        
# Mpro in complex with CG-376

The folder contains the report and a supplementary information file with data acquired thanks to the python code described in the report.

![monomers](https://github.com/Peppone98/Mpro_H164N/assets/117660597/2292bf37-c96d-4d7f-83f5-d814fb95de53)

*A representation of the two monomeric units of Mpro*