Journal of Physical Chemistry B, Vol.105, No.17, 3610-3613, 2001
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) adsorption at a charged solid interface using Brownian Dynamics simulation. The protein is modeled at the atomistic level and the adsorption surface is represented by a planar array of positively charged sites. Adsorption reactions are simulated Bt neutral pH and at low and high salt concentrations. We find that the HEWL, which has a net positive charge, can adsorb onto the, positively charged surface. The results are consistent with an electrostatically driven adsorption process. While the orientational distribution of the adsorbed protein is nonuniform, there is no dominant patch composed of two or more oppositely charged residues. The electric field distribution around the protein is the best predictor of the adsorption behavior.