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Energy parameters (kCal/mol) associated with docking interactions of various compounds in Tinospora cordifolia with Mpro (PDB id. 6LU7): A, Bindind energy; B, van der Waals & hydrogen bond energy, C, Electrostatic energy, D, Torsional energy
| 6LU7 | A | B | C | D | Interacting residues |
|---|---|---|---|---|---|
| 3b | − 5.05 | − 5 | − 0.05 | 0 | T26, L27, H41, G143, M165, E166, Q189 |
| 4f | − 5.09 | − 6.22 | − 1.55 | 2.68 | T26, L27, H41, M49, F140, L141, N142, G143, S144, C145, H163, H164, M165, E166 |
*Non-polar residues shown in bold
