| 3D | three-dimensional |
| AA | amino acid |
| HB | Hydrogen bonding |
| IFPs | interaction fingerprints analysis |
| LasB | Pseudomona elastase |
| NAMdP | N-alpha-mercaptoacetyl dipeptide |
| PDB | Protein Data Bank |
| RMSD | root mean square deviation |
| SAR | structure–activity relationship |
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