Table 3.
Binding affinity and hydrogen bond in complex coronavirus protease–ligands
| Ligand | Binding affinity (kcal/mol) | Residues binding at ligand–protein complex | |
|---|---|---|---|
|
| |||
| Hydrogen Interaction | Hyrdrophobic Interaction | ||
| 8O5/Query | −8.46 | Gly145, Ser144, Cys145, Gln189, Leu141, Ser144, His41, Thr26 | Met49, His41, Pro168 |