Physics (Internal)

Self-assembly of rod-like polyelectrolytes: from materials to cystic fibrosis

This event is part of the Biophysics/Condensed Matter Seminar Series.

Abstract: Electrostatic interactions play an important role in many biological problems and can lead to counterintuitive phenomena. I will highlight a number of problems in this area that we have addressed by means of computational methods. Specifically, we have used Monte Carlo and molecular dynamics simulations to better understand the self-assembly of stiff polyelectrolytes (charged polymers). Such molecules, e.g. filamentous actin, form close-packed bundles in the presence of multivalent ions or proteins. We elucidate the mechanism of this self-assembly process and are able to make direct comparison to experimental results obtained via small-angle x-ray scattering. I will also demonstrate how these findings pertain to fighting bacterial infections in cystic fibrosis patients.