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. Author manuscript; available in PMC: 2019 Oct 4.
Published in final edited form as: J Phys Chem B. 2018 Sep 21;122(39):9110–9118. doi: 10.1021/acs.jpcb.8b06822

Figure 7:

Figure 7:

Binding orientation of substrates along the central pores determined by P1 and P2 order parameters with respect to substrate’s positions along the z-axis. The right panels show several snapshots of HCO3 taken from the US simulations.