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. Author manuscript; available in PMC: 2008 Dec 11.
Published in final edited form as: J Chem Theory Comput. 2006;2(4):1057–1069. doi: 10.1021/ct0600060

Figure 5.

Figure 5

Schematic representation of the thermodynamic cycle used to evaluate the relative stability between protonated and ionized Asp in the protein environment. The reference compound AspH(solution)/Asp-(solution) may be substituted with other ionizable groups.