Table 6. Absolute Binding Free Energy Computed Using the Three Models^a.

model	ΔGb	ΔGu	ΔGbox	ΔGfs	ΔGCalc	ΔGExp
A	93.63 ± 0.53	79.62 ± 0.03	–3.45	–0.23	–10.33 ± 0.56	–9.35
B	87.08 ± 0.87	79.62 ± 0.03	–3.53	–0.23	–3.70 ± 0.90	–9.35
C	91.49 ± 0.54	79.62 ± 0.03	–2.93	–0.23	–8.71 ± 0.57	–9.35

^aFor each ΔG_Calc, all of the contributions are reported following eq 1. The experimental value ΔG_Exp was obtained from ref (47). All values are in kcal mol^–1.