FIG. 7.

Na⁺ ion cylindrical distributions around the 25 bp poly(dA·dT) DNA duplex derived from the MC simulations using the proposed explicit ions/implicit water GB model (thick solid red line) and from the explicit water MD simulations with the TIP3P water model (solid black line) and with the TIP4-Ew water model (dashed blue line). The GB based result is shown for the optimized “Neck” integrals scaling parameter n_j = 0.4.