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. 2014 Feb 5;118(9):2366–2376. doi: 10.1021/jp501041m

Figure 5.

Figure 5

Molecular surface representations of initial (top) and final (below, after 96 ns) structures of the control-[5′-C-3′] system obtained from MD simulations. The organic core 3 is shown in green color. The two 15 bp DNA duplexes are brought together by the hydrophobic nature of 3. Two MD simulations were carried out; see Movie S1 in the Supporting Information for further details.