The adsorption of proteins on charged confining surfaces has attracted great interest because of its great potential for applications. Nevertheless, the dominant interactions that stabilize the adsorption and the conditions under which the adsorbed protein maintains its properties and biological function are not yet fully understood. Particularly, the effect of the surface electric potential on the degree of protonation of the residues (charge regulation) and its contribution to adsorption are not normally considered in experimental results interpretation. It is proposed in this project a computer simulation study of confined proteins in charged surfaces of different geometries. Adopting a simplified model in which the intramolecular potentials are based on the native structure and the electrostatic interactions are considered according to the Debye-Huckel theory, it is intended to provide an overview of how the different contributions of electrostatic interaction (charge-charge, charge-dipole and charge regulation) affect the adsorption and the maintaining of the native structure.
News published in Agência FAPESP Newsletter about the scholarship: