1. Department of Chemistry, Imperial College London, London, W12 0BZ, UK
2. Chemistry, School of Environmental & Life Sciences, the University of Newcastle, University Drive, Callaghan, NSW, 2308, Australia
3. Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, NY, 11794, USA
4. Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, NY, 11794, USA
5. GlaxoSmithKline, Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire, SG1 2NY, UK