Effect of surfaces in modulating protein folding and aggregation mechanisms

Protein-surface interactions are ubiquitous in the crowded cytosol, where proteins encounter a variety of surfaces, ranging from membranes surfaces, to the surfaces presented by chaperone molecules. Protein-surface interactions are also at the heart of a number of emerging technologies, including protein micro-arrays and biosensors. The effect of surfaces on protein structure and stability can vary substantially depending on the chemical composition of the surface. In this talk, I will present coarse-grained as well as detailed atomistic simulations of the folding and aggregation of a small beta-sheet protein in the presence of graphite and self-assembled monolayer surfaces.