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. Author manuscript; available in PMC: 2022 Oct 4.
Published in final edited form as: J Chem Inf Model. 2021 Oct 21;61(11):5601–5613. doi: 10.1021/acs.jcim.1c00771

Figure 3.

Figure 3.

FELs along the PC-1 and PC-2 axes in each solvent at 300 K using AMBER10:EHT. The contour lines of the PMF = 1.0, 2.0, 3.0, and 4.0 kcal/mol are represented by the white, pink, sky-blue, and black lines, respectively.