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Docking, post docking analysis and binding free energy (Prime/MM-GBSA) of STOCK1N-69160 with papain-like protease of SARS-CoV-2
| s/n | Compound name | Docking score | IFD score | Interacting residues | No of H-bond | Binding free energy |
|---|---|---|---|---|---|---|
| 1 | STOCK1N-69160 | − 9.084 | − 655.84 | Tyr268, Thr301, | 2 | − 12.56 |
