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. 2013 Oct 6;10(87):20130415. doi: 10.1098/rsif.2013.0415

Figure 1.

Figure 1.

Application of the fragment orbital approach for hole transfer in DNA. Purine nucleobases are considered as the charge-carrying fragments (coloured by atom), while the remaining components of the system constitute the MM environment (DNA backbones in black, water molecules in red/dark grey, counter-ions in yellow/light grey). (Online version in colour.)