The aim of this research is the development of molecular thermodynamic models to predict protein adsorption in ion exchange chromatography. Models will incorporate electrostatic and van der Waals components for protein-surface and protein-interactions with particular interests related to adsorption patterns and molecular orientations. Brownian dynamics simulations are to be performed in order to examine kinetic effects. A complementary experimental component comrises characterization of protein adsorption on quartz or silica by total internal reflectance fluorescence (TIRF) spectroscopy, surface force measurements, atomic force microscopy and other methods. This project should help improve one of the major methods for purification of some pharmaceuticals and products of genetic engineering technologies.
