Table 1.
Docking Score and MMGBSA energy.
| Title | Structure | Docking score | MMGBSA dG Bind |
|---|---|---|---|
| 7RB7–5-removed waters | |||
| Malachite Green |  |
−7.932 | −51.3 |
| Copper Sulfate |  |
−6.177 | −14.97 |
| Malathion |  |
−4.677 | −29.30 |
| Parathion |  |
−3.458 | −20.33 |
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