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Biophys J, January 2000, p. 110-120, Vol. 78, No. 1
Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282 USA
We simulate the adsorption of lysozyme on a solid
surface, using Brownian dynamics simulations. A protein molecule is
represented as a uniformly charged sphere and interacts with other
molecules through screened Coulombic and double-layer forces. The
simulation starts from an empty surface and attempts are made to
introduce additional proteins at a fixed time interval that is
inversely proportional to the bulk protein concentration. We examine
the effect of ionic strength and bulk protein concentration on the adsorption kinetics over a range of surface coverages. The structure of
the adsorbed layer is examined through snapshots of the configurations and quantitatively with the radial distribution function. We extract the surface diffusion coefficient from the mean square displacement. At
high ionic strengths the Coulombic interaction is effectively shielded,
leading to increased surface coverage. This effect is quantified with
an effective particle radius. Clustering of the adsorbed molecules is
promoted by high ionic strength and low bulk concentrations. We find
that lateral protein mobility decreases with increasing surface
coverage. The observed trends are consistent with previous theoretical
and experimental studies.
Biophys J, January 2000, p. 110-120, Vol. 78, No. 1
© 2000 by the Biophysical Society 0006-3495/00/01/110/11 $2.00
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