Colloidal potentials mediated by specific biomolecular interactions.

Abstract

We present a systematic study of receptor-ligand interactions with increasing complexity from interactions in bulk solution, on planar and colloid surfaces, and as part of mediating colloidal pair interactions. We report analytical models that relate receptor-ligand dissociation constants (KD), interactions potentials (U(r)), and adsorbed amounts (θ) for different ligand sizes, concentrations and immobilized receptor coverages. Analytical results are validated for hard core + harmonic well receptor-ligand interactions in bulk and interfacial systems using Monte Carlo (MC) simulations, although any biomolecular interaction can be incorporated into the reported analysis via a "B2 device". Results from analytical models are used to understand potentials of mean force (W(L)) for ligand mediated interactions between receptor decorated colloids. W(L) are generated using MC-umbrella sampling (MC-US) simulations with cluster moves, which provide self-consistent comparisons of net colloid scale interactions with receptor-ligand scale information. Our findings capture how receptor-ligand interactions mediate colloid scale interactions relevant to self-assembly, drug delivery, and biosensing.