title: Monte Carlo simulation of protein adsorption on energetically heterogeneous surfaces.
abstract: The modified triangular-well potential model was applied to incorporate the effect of surface energy on the adsorption of particles or proteins on energetically heterogeneous surfaces. The method is convenient in simulating the adsorption on heterogeneous surface of which different region possesses different free energy. Spherical particles with attractive forces were added on the surface and underwent surface diffusion before they were quenched in place. It was seen that the ratio of surface energies of two regions had to be greater than 10 in order to simulate the adsorption in which the particles were selectively adsorbed on a favorable area. At a fixed ratio of surface energies, the obtained structures were similar. If the ratio was less than 10, the probability of adsorption on any site on the surface was not much different so the adsorption would be homogeneous adsorption. The method, thus, could be applied widely to simulate the adsorption of various conditions.
authors.affiliation: Department of Chemical Engineering, Faculty of Engineering, Thammasat University, 99 Moo 18 Phaholyothin Road, Khlong-Luang, Pathum Thani 12120, Thailand.
authors.forename: Panu
authors.identifier: 0000-0002-3353-3079
authors.initials: P
authors.lastname: Danwanichakul
mesh_terms: D000327:Adsorption; D008956:Models, Chemical; D009010:Monte Carlo Method; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins