Abstract
A previously validated P3M force-field scheme, self-consistently coupled to a BD kernel, is used to investigate the influence of the protein dielectric constant on ion channel permeation in OmpF porin. The channel conductivity is 0.24nS for a protein dielectric constant of 4, and is in agreement with experimental measurements. Increased cation selectivity at low ionic concentrations is also observed in the simulations and appears to be dependent on the rings of aspartic acid residues around the mouths of the porin.
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© 2006 Springer-Berlag Berlin Heidelberg
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Aboud, S.J., Marreiro, D., Saraniti, M. (2006). An Investigation of the Dependence of Ionic Conduction on the Dielectric Properties of Porin. In: Saraniti, M., Ravaioli, U. (eds) Nonequilibrium Carrier Dynamics in Semiconductors. Springer Proceedings in Physics, vol 110. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-36588-4_47
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DOI: https://doi.org/10.1007/978-3-540-36588-4_47
Publisher Name: Springer, Berlin, Heidelberg
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