Strong inhibition of M-Protease activity of Coronavirus by using PX-12 inhibitor based on ab initio ONIOM calculations,Journal of Chemical Research

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Strong inhibition of M-Protease activity of Coronavirus by using PX-12 inhibitor based on ab initio ONIOM calculations
Journal of Chemical Research ( IF 1.4 ) Pub Date : 2020-06-19 , DOI: 10.1177/1747519820938025
Hadieh Monajemi _{1,

2} , Sharifuddin M Zain ₁

Affiliation

In this study, the interaction of seven potential inhibitors in complex with SARS-CoV-2’s M protease (Mpro) is modelled and optimized using ONIOM (Own N-layered Integrated molecular Orbital and mol...

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