Table 2.
The binding energies and offset of center grid box.
Protein | PDB ID | Binding energy (kcal/mol) | X center | Y center | Z center |
---|---|---|---|---|---|
TNF | 2az5 | −6.43 | −0.389 | −0.889 | 8.194 |
HSP90AA1 | 3o0i | −9.39 | −4.417 | 1.944 | 2.306 |
ESR1 | 2r6w | −5.48 | 12.000 | 8.889 | 0.972 |
HIF1A | 4h6j | −4.78 | 5.333 | 1.778 | −0.556 |