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. Author manuscript; available in PMC: 2012 Jun 12.
Published in final edited form as: Proteins. 2011 Oct 15;79(12):3420–3436. doi: 10.1002/prot.23176

FIG. 11.

FIG. 11

The time series of the predicted pKa values obtained with the averaging Method II for (a) His4, (b) Glu17, (c) Asp42, and (d) Asp59 of CTX A5. These results were obtained from the PHREM simulations at the pH values which were specified in the small windows around the pKa values.