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Binding energies of the selected poses of DHI and test molecules.
| Compound | CDOCKER Interaction Energy (Kcal mole−1) |
CDOCKER Energy (Kcal mole−1) |
Scoring Function | ||||
|---|---|---|---|---|---|---|---|
| LigScore1 | LigScore2 | PLP1 | PLP2 | Jain | |||
| Donepezil | 45.18 | 7.24 | 2.68 | 5.52 | 86.14 | 84.95 | 3.81 |
| DHI | 38.92 | 1.30 | 3.28 | 5.54 | 99.96 | 91.50 | 4.27 |
| A | 35.28 | 30.23 | 4.17 | 5.57 | 79.80 | 85.20 | 2.52 |
| B | 32.65 | 5.64 | 1.76 | 5.20 | 76.97 | 68.99 | 0.37 |
