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. 2017 Dec 20;14(2):894–904. doi: 10.1021/acs.jctc.7b01099

Figure 7.

Figure 7

Comparison of the free energies of mutation of amino acids into alanine in the tripeptide calculated via TI (ΔGQ>ATI) and TPF+OSP approach with all reference states (ΔΔGQ>A). The right panel is a zoom of the indicated square in the left panel.