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. Author manuscript; available in PMC: 2017 Jul 21.
Published in final edited form as: J Chem Theory Comput. 2016 Jun 17;12(7):3370–3381. doi: 10.1021/acs.jctc.6b00028

Figure 5.

Figure 5

Ion binding properties for Adenine riboswitch. (a) The binding fractions of Mg2+ and K+ ions per nucleotide, respectively, and (b) the electrostatic free energy as a function of [Mg2+] with fixed [K+] = 50mM. The inset of (b) shows the fraction of the total charge as a function of [Mg2+].