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Energy minimization (in kcal/mol) pattern of docking studies.
| Residue | Eserine e.m.* |
Compound 4 e.m. |
Compound 5 e.m. |
|---|---|---|---|
| W82 | -2.1 | -1 | -2.4 |
| G115 | – | -10.3 | -14.6 |
| G116 | |||
| G117 | |||
| S198 | – | -3.9 | -4.1 |
| A199 | – | -4.7 | -4.7 |
| P285 | -4.7 | – | – |
| F329 | -0.5 | -3.3 | -2.8 |
| H438 | -2 | -6.63 | -6.4 |
e.m. is energy minimization.
