| SBDD | Structure-Based Drug Design |
| IST | Inhomogeneous Solvation Theory |
| GIST | Grid Inhomogeneous Solvation Theory |
| HAS | Hydration Site Analysis |
| MD | Molecular Dynamics |
| PDB | Protein Data Bank |
| RMSD | Root Mean Square Deviation |
| FXa | Factor Xa |
| DUD-E | Directory of Useful Decoys-Enhanced |
| ROC | Receiver Operating Characteristic |
| AUC | Area Under the Curve |
| EF | Enrichment Factor |