Figure 2.

A graph demonstrating the correlation between results of Table 2 for $\mathrm{\Delta }{F}_{\text{sum}}=\mathrm{\Delta }{E}_{\text{loop}}+\mathrm{\Delta }{F}_{\text{water}}^{\text{TI}}$ (eqs 19 and 22) and ΔE_total (eq 24), as a function of the number of water molecules, N_water.