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Convergence plot of the binding free energy and binding enthalpy for the systems in Table 2. The guests are indicated in the legend at right. CB7 was the host molecule for all guests except Hex, which bound to βCD. Convergence is indicated by percentage of total data due to the varying trajectory length of the simulation windows considered in the ΔGbind or ΔHbind calculations. Error bars are 95% CI.
