Table 1.
Binding energies of the compounds based on their rank
| COMPOUNDS |
Binding energies of the compounds based on their rank (kcal/mol)
|
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | |
| Epigallocatechin | -6.03 | -5.75 | -5.57 | -5.40 | -5.38 | -5.23 | -5.19 | -4.81 | -4.97 | -4.93 |
| Acacatechin | -6.22 | -6.13 | -5.87 | -5.79 | -5.35 | -4.95 | -5.96 | -5.91 | -5.22 | -3.99 |
| Myricetin | -7.27 | -6.96 | -5.09 | -7.03 | -6.35 | -5.86 | -5.65 | -5.37 | -4.78 | -4.28 |
| Naringenin | -7.60 | -7.40 | -7.25 | -6.70 | -7.18 | -7.13 | -7.16 | -5.79 | -5.58 | -5.36 |
| Daidzein | -7.54 | -7.53 | -7.44 | -6.83 | -5.83 | -5.74 | -5.63 | -5.74 | -5.57 | -5.49 |
| Glycitein | -8.49 | -7.28 | -7.20 | -6.71 | -6.68 | -6.66 | -6.55 | -6.53 | -6.46 | -5.70 |
| Allopurinol | -4.47 | -4.47 | -4.46 | -4.46 | -4.45 | -4.20 | -4.09 | -4.09 | -3.99 | -3.87 |