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. 2014 Feb 19;118(11):2851–2871. doi: 10.1021/jp412051v

Figure 4.

Figure 4

Two-dimensional free energy surfaces for the ψ (C1′–O6–C6–C5) vs ω (O6–C6–C5–O5) dihedrals for 19, given in degrees, calculated from the HREX MD simulations. Free energies are calculated from the natural logarithm of the relative probability and are given in kcal·mol–1.