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. 2021 Sep 2;17(9):5777–5791. doi: 10.1021/acs.jctc.1c00322

Figure 9.

Figure 9

(a) Convergence of log KMW with cutoff between the membrane and water for ethylene glycol and trihexylamine. (b) Free-energy profiles for the two compounds, with cutoff from an RMSD threshold of 0.1 indicated by crosses. The center of the membrane lies at r = 0.