New insights into structural stability of SARS-CoV-2 main protease

New insights into structural stability of SARS-CoV-2 main protease

New insights into structural stability of SARS-CoV-2 main protease

In a recent bioRxiv preprint paper, researchers from the US and Italy utilized molecular dynamics simulations and revealed that the conformational stability of the SARS-CoV-2 binding site, bound inhibitors, and the hydrogen bond networks of the viral main protease (Mpro) are highly sensitive to protonation assignments.