Generalized Poisson-Boltzmann calculation of the distribution of electrolyte ions around the B- and Z-conformers of DNA
Version of Record online: 1 FEB 2004
Copyright © 1984 John Wiley & Sons, Inc.
Volume 23, Issue 12, pages 2801–2823, December 1984
How to Cite
Pack, G. R. and Klein, B. J. (1984), Generalized Poisson-Boltzmann calculation of the distribution of electrolyte ions around the B- and Z-conformers of DNA. Biopolymers, 23: 2801–2823. doi: 10.1002/bip.360231208
- Issue online: 1 FEB 2004
- Version of Record online: 1 FEB 2004
- Manuscript Accepted: 29 MAY 1984
- Manuscript Received: 15 FEB 1984
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.