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. Author manuscript; available in PMC: 2017 Dec 4.
Published in final edited form as: J Chem Theory Comput. 2016 Oct 24;12(11):5411–5421. doi: 10.1021/acs.jctc.6b00552

Figure 3.

Figure 3

Titration plots of HP36, BBL, HEWL and SNase. Unprotonation fractions at different pH were calculated based on the 10-ns CpHMD simulations. Solid curves represent best fits to the generalized HH equation. For all curves, chi-square of fitting is in the range 0.00017–0.038 and correlation coefficient is in the range 0.9955–0.999965.