Title : Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7).

Pub. Date : 2020 Jul 27

PMID : 32539372






1 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 From the present FMO study, His41, His163, His164, and Glu166 were found to be the most important amino acid residues of Mpro in interacting with the inhibitor, mainly due to hydrogen bonding. Hydrogen NEWENTRY Severe acute respiratory syndrome-related coronavirus