Interactions between proteins and biomaterials-an experimental and computational multiscale study

Understanding the interactions between proteins and biomaterials underpins the development of novel biomaterials that could produce a specific response towards the surrounding tissue, depending on the application. In this thesis, a combination of molecular dynamics (MD) simulations and experimental techniques was deployed to systematically study the effect of the biomaterial surface chemistry on the adsorption of proteins, and consequently the effect of proteins on the lifetime of a metallic biomaterial. It was found that the surface chemistry could have a significant impact on the protein adsorption process because it affects the adsorption kinetics, the driving forces of adsorption, the conformation of the adsorbed protein, and the functionality of the adsorbed protein. Furthermore, the adsorbed proteins could greatly affect the lifetime of a metallic biomaterial via tribocorrosion process where the biomaterial surface is subjected to friction.