MolSSI / covid

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
https://covid.molssi.org
28 stars 49 forks source link

Uploaded models discussed in paper #273

Open gorangiud opened 12 months ago

gorangiud commented 12 months ago

Description

Provide a brief description of the data being added here.

The yml files refer to models of 3CLpro in complex with different inhibitors. These are all described in this article: https://doi.org/10.1021/jacs.3c02229 and in the related SI

Status