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Dapsone and DHPS binding energy derived by autodock prediction.
| ID | Binding Energy (Kcal/mol) | Inhibition Constant (uM) | Intermol Energy (Kcal/mol) | Internal Energy (Kcal/mol) | Torsional Energy (Kcal/mol) | Unbound Energy (Kcal/mol) |
|---|---|---|---|---|---|---|
| DHPS | -6.28 | 24.93 | -7.47 | -0.29 | 1.19 | -0.29 |
| P55I | -5.53 | 88.40 | -6.72 | -0.31 | 1.19 | -0.31 |
| T53A | -5.90 | 47.34 | -7.09 | -0.26 | 1.19 | -0.26 |
| T53I | -6.20 | 28.53 | -7.39 | -0.29 | 1.19 | -0.29 |
| V39I | -6.26 | 25.78 | -7.45 | -0.28 | 1.19 | -0.28 |
