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. Author manuscript; available in PMC: 2011 Mar 4.
Published in final edited form as: J Phys Chem B. 2010 Mar 4;114(8):2901–2909. doi: 10.1021/jp906791b

Figure 2.

Figure 2

Single ion PMFs from BD simulations (solid lines) for (a) wt-αHL, (b) (M113F)7, and (c) (M113F)7·βCD extracted from BD simulations via Eq. (4). Also shown in dashed lines are the free energy profiles W(x = 0, y = 0,z) of a single K+ or Cl− located along the channel axis calculated via Eq. (2). The BD PMFs are aligned with the corresponding dashed lines.