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. 2014 Sep 22;42(18):11612–11621. doi: 10.1093/nar/gku833

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© The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 4. — The interactions between the anti-parallel quadruplex (PDB: 1HAO) and ThT (a and b) or NMM (c and d) visualized by molecular docking simulation. DNA and ThT are represented as cartoon sticks and spheres. C, gray; N, blue; S, yellow; O, red. Green dotted lines represent the hydrogen bonding between bases and ThT/NMM, and yellow cylinders represent π∼π interactions between bases and NMM. (a) Side view of the anti-parallel TBA quadruplex with ThT. (b) The interactions of ThT with two quartets in the region of groove binding. (c) Side view of the anti-parallel TBA quadruplex with NMM. (d) The interaction of NMM with the bottom quartet as well as two T loops.