Self-Assembly of multiple patchy particles in presence of oppositely charged polyelectrolytes

We discuss the molecular simulation of self-assembly of nanoparticles with discrete charge distribution called patches in presence of oppositely charged polymers in solution. This is to mimic phase separation due to coacervation of supercharged globular proteins in presence of oppositely charged polyelectrolytes. We have used a hybrid computational method of combined single chain in mean field theory and the solution of general Poisson-Boltzmann equation. We have studied the effect of number of patches, arrangement of charges on them, positive to negative charge ratio, polyelectrolyte charge and mixing ratios of particle to polymer on aggregation of the system. Our results show how by manipulating the number of patches and by changing the charges on them, gives a new parameter to modulate the aggregation of particles and the cluster properties.