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. 2024 Dec 9;20(24):11013–11031. doi: 10.1021/acs.jctc.4c01145

Figure 6.

Figure 6

Comparisons of the trapped water ABFEs calculated here with ABFEs from Barillari et al.29 (left) and Ge et al.11 (right). In both of the plots, error lines at 1 kcal mol–1 (dashed) and 2 kcal mol–1 (dotted) are also shown.