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Binding Free Energies for (S) and (R)-BNP in poly(SULV) pockets one-four.
| (S)-BNP | ||
| Binding | Pocket Binding Free Energy (kJ·mol−1) | Fractional Population |
| Pocket 1 | −52.84 | 3.6×10−5 |
| Pocket 2 | −78.12 | ≈1 |
| Pocket 3 | −59.50 | 5.4×10−4 |
| Pocket 4 | −52.95 | 3.8×10−5 |
| (R)-BNP | ||
| Binding | Pocket Binding Free Energy (kJ·mol−1) | Fractional Population |
| Pocket 1 | −48.97 | 9.3×10−3 |
| Pocket 2 | −60.33 | 0.91 |
| Pocket 3 | −50.10 | 1.5×10−2 |
| Pocket 4 | −53.96 | 0.069 |
