Abstract
A model system of highly asymmetric polyelectrolyte with directional short-range attractive interactions was studied by canonical Monte Carlo computer simulations. Comparison of MC data with previously published theoretical results shows good agreement. For moderate values of binding energies, which matches those of molecular docking, a dynamic equilibrium between free and dimerized macroions is observed. Fraction of dimerized macroions depends on macroion concentration, binding energy magnitude, and on the valency of small counterions. Divalent counterions induce an effective attraction between macroions and enhance dimerization. This effect is most notable at low to moderate macroion concentrations.
Publisher
Institute for Condensed Matter Physics
Subject
Physics and Astronomy (miscellaneous),Condensed Matter Physics
Reference26 articles.
1. Evans D. F., Wennerstrom H., The Colloidal Domain: Where Physics, Chemistry, Biology, and Technology Meet, 2 nd Ed., Wiley, 1999
2. Theory of the stability of strongly charged lyophobic sols and of the adhesion of strongly charged particles in solutions of electrolytes
3. Verwey E. J., Overbeek J. T. G., Theory of the Stability of Lyophobic Colloids, Elsevier, 1948
4. Liquid crystallinity in systems of magnesium and calcium surfactants
5. A theoretical and experimental study of forces between charged mica surfaces in aqueous CaCl2 solutions