Influence of charge heterogeneity and charge regulation in complexation between proteins and weak polyelectrolytes.

We discuss the complexation of weakly dissociating proteins in the presence of oppositely charged polyelectrolytes using coarse-grained molecular simulations. We have used singe chain in mean field simulation method with constant pH ensemble in a semi-grand canonical framework to include the charge dissociation effects. Through results (adsorption and bridging) pertaining to one and two proteins and several polyelectrolytes, we compare the influence of charge regulation and charge heterogeneities on proteins. Our results demonstrate that the charge regulation exerts bridging by polymers higher than that due to charge patches. We discuss the influence of different parameters such as polyelectrolyte concentration, number of charge patches, pH etc.