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. Author manuscript; available in PMC: 2016 Apr 24.
Published in final edited form as: J Mol Biol. 2015 Jan 10;427(8):1670–1680. doi: 10.1016/j.jmb.2015.01.002

Figure 2.

Figure 2

Outline of the multiscale modeling approach to describe the large-scale, pH-dependent thermodynamics of HdeA. CG and AA refer to the coarse-grained and all-atom models, respectively.