The NMR structure of [Xd(C2)]4 investigated by molecular dynamics simulations
The i-motif tetrameric structure is built up from two parallel duplexes intercalated in a head-to-tail orientation, and held together by hemiprotonated cytosine pairs. Two topologies exist for the i-motif structure, one with outermost 3' extremities and the other with outermost 5' extremities, called the 3'E and 5'E topology, respectively. Since the comparison of sugar and phosphate group interact
