Fig. 15.6.
pH-dependent modulation of the NP4 protein. Closed (top) and open (bottom) conformations of NP4. Protonation of Asp30 stabilizes the closed conformation, while deprotonation stabilizes the open conformation. (Reprinted with permission from Di Russo, N. V.; Martí, M. A.; Roitberg, A. E. Underlying Thermodynamics of PH-Dependent Allostery. J. Phys. Chem. B 2014, 118 (45), 12,818–12,826. Copyright 2014 American Chemical Society)