1 Result(s)

Article

Exploring potential SARS-CoV-2 Mpro non-covalent inhibitors through docking, pharmacophore profile matching, molecular dynamic simulation, and MM-GBSA

In the replication of SARS-CoV-2, the main protease (Mpro/3CLpro) is significant. It is conserved in a number of novel coronavirus variations, and no known human proteases share its cleavage sites. Therefore, ...

Yunfan Shi, Liting Dong, Zhuang Ju, Qiufu Li, Yanru Cui… in Journal of Molecular Modeling (2023)