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CoHex ion distributions around the 25 bp homopolymeric poly(dA·dT) DNA duplex derived from the MC simulations using the proposed explicit ions/implicit water GB model (thick solid red line) from the explicit water MD simulations using the TIP3P water model (thin solid black line) and from the non-linear PB calculation with explicit CoHex ions (dot-dashed blue line). The GB derived results are shown for the optimized “Neck” integrals scaling parameter nj = 0.9.
