FIGURE 2.

Stick representations of model 2 and model 3. (a) Model 2 with a pseudo-intercalation site can be generated by increasing the stacking distance between the two 21-mer units in model 1 from 3.5 Å to 7.0 Å. (b) Ligand molecule (green) can be docked in the pseudo-intercalation site to generate model 3. (c) Average structure of model 2 calculated from the 15 ns simulation. The overall structure of the model is distorted; however, the two individual quadruplex units (21-mer) retain their structures.