Table 5.
Binding free energies (ΔGbind) of the compounds in the Trp-213 binding site.
| Compound | ΔGbind (kJ mol−1) |
|---|---|
| 1 | -16.15 |
| 2 | -16.23 |
| 3 | -17.07 |
| 4 | -13.60 |
| 5 | +2.00 |
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