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. 2017 Sep 12;13(11):5697–5708. doi: 10.1021/acs.jctc.7b00706

Table 1. Restrained Unbinding Free Energies, Standard-State Corrections, and Resulting Restrained Standard-State Binding Free Energies for wt UBM2 and P692A UBM2 Binding to UBI in Systems RS, ZS, and ZL, Respectivelya.

system ΔGunbindres ΔGcorr ΔGbind⊖,res
RS/wt 27.0 ± 1.1 –9.2 –36.2 ± 1.1
ZS/wt 27.2 ± 2.8 –5.4 –32.6 ± 2.8
ZL/wt 30.1 ± 2.1 –5.4 –35.5 ± 2.1
RS/P692A 24.0 ± 0.6 –9.2 –33.2 ± 0.6
ZS/P692A 26.2 ± 1.8 –5.4 –31.6 ± 1.8
ZL/P692A 28.5 ± 1.9 –5.4 –33.9 ± 1.9
a

All free-energy values are in kJ·mol–1.