A Brownian dynamics study of the initial stages of hen egg-white lysozyme adsorption at a solid interface

We investigate the initial stages of hen egg-white: lysozyme (HEWL) adsorpt ion at a charged solid interface using Brownian Dynamics simulation. The pr otein is modeled at the atomistic level and the adsorption surface is repre sented by a planar array of positively charged sites. Adsorption reactions are simulated Bt neutral pH and at low and high salt concentrations. We fin d that the HEWL, which has a net positive charge, can adsorb onto the, posi tively charged surface. The results are consistent with an electrostaticall y driven adsorption process. While the orientational distribution of the ad sorbed protein is nonuniform, there is no dominant patch composed of two or more oppositely charged residues. The electric field distribution around t he protein is the best predictor of the adsorption behavior.