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À propos de : Ion Dynamics and Water Percolation Effects in DNAPolymorphism        

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  • Ion Dynamics and Water Percolation Effects in DNAPolymorphism
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  • The dynamics of ions and water at the surface of DNA are studied by computer simulations ina wide range of hydrations involving the zone of low-hydration polymorphism in DNA. The long-range mobilityof ions exhibits a stepwise increase at three distinct hydration levels. The first of them is close to themidpoint of the water percolation transition as well as the midpoint of the transition between A- and B-DNAforms. It coincides with the onset of the dissociation of ion pairs on the DNA surface probably caused bythe increase in the water dielectric permittivity due to the appearance of the spanning hydrogen-bondingnetwork. The other two steps are attributed to the formation of percolating water layers on the surface ofDNA accompanied by the progressive escape of ions from the DNA surface. The results agree with earlierexperimental data and further corroborate the suggested universal mechanism of the low hydrationpolymorphism in DNA including intraduplex electrostatic condensation close to the water percolationthreshold.
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