The prediction of main protease SARS-CoV-2 inhibition based on models of enzyme-inhibitor complexes

Ivanova Ya.O., Skvortsov V.S.

Year: 2023 Vol: 69 Issue: 5 Pages: 322-327

Supplementary materials:   RUEN
Structures of 180 inhibitors of the main protease SARS-CoV-2 and data including calculated parameters of inhibitors and complexes with the enzyme (column names correspond to the names of variables in the programs used to perform the calculations) and activity data, with source