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Blind and focused docking of the ligands to HSA. Calculated binding free energies of the ligands bound to Sudlows’s site I are compared to that of AFB1 and listed as relative values (RBE). Thus, RBE of AFB1 is 1 by definition. The corresponding rank number (#Rank) of Sudlows’s site I is also shown.
| Ligand | Blind Docking | Blind Docking | Focused Docking | Focused Docking |
|---|---|---|---|---|
| RBE | #Rank | RBE | #Rank | |
| AFB1 | 1 | 2 | - | - |
| AFB2 | 0.98 | 2 | 0.99 | 1 |
| AFG1 | 0.95 | 2 | 0.95 | 1 |
| AFG2 | 0.98 | 4 | 0.99 | 1 |
| AFM1 | 0.98 | 2 | 0.97 | 1 |
