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. Author manuscript; available in PMC: 2013 Feb 9.
Published in final edited form as: J Phys Chem C Nanomater Interfaces. 2012 Jan 9;116(5):3376–3393. doi: 10.1021/jp210641j

Figure 11.

Figure 11

K+ distribution in a pore containing DNA basepairs. (A) Atomic structures of DNA molecules in a nanopore, including a single A·T basepair, and basepair triplets with GCC and TAC sequences. The semi-transparent purple surface shows the location of the pore. The DNA nucleotides A, T, G, and C are shown in cyan, orange, blue, and red, respectively. K+ and Cl− ions are shown as yellow and green spheres. For clarity, fewer ions are shown than the typical numbers in the pore at 1.3 and 1.7 M. Water is not shown. (B) Cross sections of the K+ concentrations for each system. All-atom MD results are shown above the ARBD results. The cross section plane passes through the center of the pore and contains the pore axis. (C) Number density (number/nm) of K+ and Cl− along the pore axis. The all-atom MD and ARBD results are shown in black and red, respectively.