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Qualitatively different distributions of multivalent CoHex3+ ions around the DNA duplex in the explicit (left) and implicit (right) water. Shown are the representative configurations from an all-atom MD simulation of explicit CoHex ions around a 25 base pair long DNA duplex. Ion distribution resulting from the standard explicit water treatment (TIP3P,64 left) is compared to the one based on one of the latest GB models65 available in AMBER66 (right).
