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Atomistic details of some direct binding sites of Na+ for different nucleic acid structures. (a) Binding to G-O6 (and proximity to C-N4) in B-DNA; (b) binding to G-O6 (and proximity to C-N4) in A-RNA; (c) binding to G-OP1, G-OP2 and C-O3′ in Z-DNA; (d) binding to C-O2 and C-O2′ in Z-RNA. The configurations shown are just a snapshot at a given time obtained from the MD simulations. Details of (a) are also provided in Figure S8.
