Supplementary material. Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening
datasetposted on 2022-02-27, 17:29 authored by Kang, Cong-min, Zhang, Li-chuan, Hui-Ling Zhao, Jin Liu, Lei He, Ri-lei Yu
Table S1. Docking scores and MM-GBSA scores of the top 20 compounds that bind the two proteins (kcal/mol).
Figure S1. The structure of top20 compounds.