Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro
Nguyễn Minh Tâm, Pham Cam Nam, Dương Tuấn Quang, Nguyễn Thanh Tùng, Van V. Vu, Sơn Tùng Ngô · RSC Advances · 2021
binding pose and noncovalent contact analyses. Our study results show that it is possible to speed up computer-aided drug design for SARS-CoV-2 Mpro by focusing on the monomeric form instead of the larger dimeric one.