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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 6.

Figure 6

Predicted TB Mg2+ ion distribution in a solution with 2 mM Mg2+ and 50 mM K+. (a) and (b) show the “zoom-out” and “zoom-in” views of the Mg2+ ion distribution in the TB region, respectively. The labeled spheres are the bound Mg2+ ions shown in the PDB structure (A-riboswitch, PDB ID: 1Y26, yellow color in the figure).