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  • 1
    Electronic Resource
    Electronic Resource
    Calculations of the spatial distribution of charge density in the environment of DNA (1983)
    New York : Wiley-Blackwell
    Biopolymers 22 (1983), S. 2331-2352 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A technique for modeling the structured environmental charge distribution about isolated polyions of arbitrary geometry is presented and applied to B-DNA. It describes the three-dimensional variation of the continuous space charge and allows estimation of local electrostatic potentials and fields that the electrolytic environment induces at nuclei of the polyion. Calculations involve an iterative solution to the set of equations coupling electrostatic potential and average charge density in space. By dividing the region around a DNA segment into finite volume elements, sets of numerically stable atmospheric charge densities have been obtained over a range of concentrations of added monovalent salt. Results are in good agreement with those of Poisson-Boltzmann calculations on comparable systems and are consistent with findings from Monte Carlo simulations of DNA.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360221103
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  • 2
    Electronic Resource
    Electronic Resource
    Generalized Poisson-Boltzmann calculation of the distribution of electrolyte ions around the B- and Z-conformers of DNA (1984)
    New York : Wiley-Blackwell
    Biopolymers 23 (1984), S. 2801-2823 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A solution to the three-dimensional Poisson-Boltzmann equation, generalized to include the finite size of the ions, is presented for the environment of DNA in the B- and Z-conformations. The results clearly indicate that despite the lower linear charge density of the left-handed Z-conformer, there is a higher concentration of Na+ at the immediate surface of the Z-from than at the surface of the B-form. The average concentration of counterions within a 12-Å radius of the DNA is, nonetheless, higher for the B- than for the Z-form. Calculations of the electrostatic interactions of these conformers with an environment of 0.01M monovalent salt show that the salt exerts a greater stabilizing effect on the left-handed conformer than on the right-handed form.
    Additional Material: 17 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360231208
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    Paper (German National Licenses)
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