I am interested in biomolecular association. During my PhD this was primarily focussed on questions regarding the concept of how 'druggable' a pocket on a protein surface might be, and on performing alchemical free-energy calculations on small-molecule mimetics of a helical portion of the p53 protein that regulates apoptosis via binding to a pocket on the hDM2 protein. In the Wade lab I am working on the Virtual Liver Network, where I am applying Brownian dynamics simulations of proteins that associate to lipid membranes.
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