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. 2022 Feb 9;62(4):914–926. doi: 10.1021/acs.jcim.1c00840

Figure 5.

Figure 5

Free-energy surfaces for Plm-II reweighted on χ1 and H-bond distances to Trp-41 (upper panel) and Asp-34 (lower panel) for the MD (four runs combined) and Torsion-Metad simulations, respectively. Representative structures corresponding to the two H-bonds are also shown.