Electrostatic interactions between discrete helices of charge

Abstract

We analytically examine the pair interaction for parallel, discrete helices of charge. Symmetry arguments allow for the energy to be decomposed into a sum of terms, each of which has an intuitive geometric interpretation. Truncated Fourier expansions for these terms allow for accurate modeling of both the axial and azimuthal terms in the interaction energy and these expressions are shown to be insensitive to the form of the interaction. The energy is evaluated numerically through application of an Ewald-like summation technique for the particular case of unscreened Coulomb interactions between the charges of the two helices. The mode structures and electrostatic energies of flexible helices are also studied. Consequences of the resulting energy expressions are considered for both F-actin and A-DNA aggregates.