FIGURE 10.

Cartoon representation of the simulations performed and structural changes observed in various models on the G-DNA formation pathway. (A) Creation of the “cross-like” dimer from G-DNA parallel- and edge-like duplex models. (B) Creation of the ion-stabilized trimer structure from the G-DNA like triplex model. (C) Spontaneous capture of ions from the solvent by the vacant G-DNA quadruplex. (D) Creation of the single cation stabilized “spiral stem” and spontaneous strand slippage closer to the native quadruplex. (E) Only two ions appear necessary to stabilize the double slipped G-DNA quadruplex model structures.