I am primarily interested in biomolecular association. In the Wade lab I am working on the Virtual Liver Network. In one sub-project I am applying brownian dynamics simulations (using the SDA software) of FYVE domain proteins that associate to lipid membranes. One result of this work is the need to investigate the effect of lipid membrane models for molecular dynamics simulations (manuscript in preparation). In another sub-project I am investigating computational methods to enable experimental collaborators to identify suitable small-molecule inhibitors of signaling and metabolic pathways in the context of Systems Biology.
My PhD 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. The thesis is available through the White Rose e-thesis portal here.
I am continuing to maintain access to the Q-SiteFinder program that was previously developed in the Jackson lab. Please contact me if you have any suggestions for further developments or features that you would like to see.
Three different methods to find a list of my publications:
2010 - present: PostDoctoral researcher on the Virtual Liver Network.
2009: 2 month visit to work in the laboratory of Prof. Michael Shirts at the University of Virginia funded by a CCPB USPA travel award
2006 - 2010: PhD study at University of Leeds, supervised by Richard Jackson.
Thesis title:Computational approaches for drug design at the Protein-Protein interface2005: BBSRC Summer Studentship, supervised by Prof. Sir Tom Blundell and Dr. David Burke
2003 - 2006: St Annes College, University of Oxford, BA Physics.
Mountain-biking, White-water kayaking, cross-country skiing and learning german!