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Formation of a G-triad-water complex (A) G9·G13·G17 base triad extracted from a MD simulation snapshot. The density of water oxygen is calculated using 0.5 Å3 grid box. Only densities of the water molecules with more than four times the water bulk are shown. Water molecule coordinating the cation is represented. (B) Distance (δ) between water oxygen and K+ as a function of time. K+ is colored in pink, carbon in cyan, hydrogen in white, oxygen in red and nitrogen in blue.
