We present a numerical method for calculating the electrostatic potential of molecules in solution, using the linearized Poisson-Boltzmann equation. The emphasis in this work is on applications to biological macromolecules. The accuracy of the method is assessed by comparisons with analytic solution
The electrostatic potential of a discretely charged cylinder in solution
โ Scribed by James M. Bailey
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1973
- Tongue
- English
- Weight
- 759 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0006-3525
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โฆ Synopsis
Abstract
The electrostatic potential of an infinitely long cylinder with a periodic, discrete charge density was calculated, assuming the cylinder was immersed in a simple 1 : 1 electrolyte solution. The charge density of the simple electrolyte was taken to be the linearized DebyeโHรผckel charge density. It was also assumed that the discrete charge density, was within the cylinder (rather than on its surface), and that the interior of the cylinder had a unique dielectric constant D~h~, which was treated as a parameter. Although this model (except for the DebyeโHรผckel assumption) more realistically represents DNA than previous models, the calculated potential was found to be ambiguous, depending on the value chosen for the depth of the discrete charge below the cylinder surface. However it was also found that the dependence of the potential on the simple electrolyte concentration was wellโdefined and was identical to that of a continuously charged cylinder. It was concluded that the continuously charged cylinder model adequately describes differential salt effects.
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