Table 1.

Absolute binding free energies of the HRE simulation (reported in kcal/mole)

ΔG N ↑	ΔG M2SOM6SO ↑	ΔG N ↓	ΔG M2SOM6SO ↓
−43.070 ± 1.085	−43.277 ± 0.595	−17.097 ± 0.669	−21.05 ± 0.557
ΔΔG↑		ΔΔG↓
∼0.0 kcal/mol		∼ −4.0 kcal/mol