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Molecular docking of the four dynamic metal models against cysteine proteinase enzyme.
| Metal Ligand | Score (kcal/mol) | Type of Interaction | Key Amino Acids |
|---|---|---|---|
| Au+2NP (Reference-inhibitor) | −17.07 | Ligand exposure | Arg 86 |
| Pd0NP | −22.4 | Ligand exposure | Arg 113 |
| Pt+2NP | −26.19 | Ligand exposure | Asn 85, Arg 86 |
| Pd0-Pt+2NP | −30.29 | Ligand exposure | Asn 85, Arg 86 |
