Figure 1.

(A) The initial configuration of the system composed of (10,0) fCNT and protonated iG, (B) the final configuration obtained after 40 ns run in NPT ensemble. The blue parts are the G-quadruplex structures while the red ones are the i-motifs. The structures (A,B) are also provided as pdb files in the supplementary material: fig_1A.pdb and fig_1B.pdb. (C) The pair interaction energy between fCNT and iG as a function of time. (D) Schematic diagram showing the structure and nucleic acids sequence in the iG compound.