Monte Carlo Simulation of Protein Adsorption on Energetically Heterogeneous Surfaces | Zendy

Panu Danwanichakul | Zendy

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Monte Carlo Simulation of Protein Adsorption on Energetically Heterogeneous Surfaces

Author(s) -

Panu Danwanichakul

Publication year - 2014

Publication title -

biomed research international

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.772

H-Index - 126

eISSN - 2314-6141

pISSN - 2314-6133

DOI - 10.1155/2014/278098

Subject(s) - adsorption , monte carlo method , surface (topology) , homogeneous , diffusion , materials science , chemical physics , surface energy , surface diffusion , chemistry , thermodynamics , chemical engineering , physics , geometry , mathematics , statistics , engineering

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.

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