1. Department of Chemistry Chemistry Research Laboratory University of Oxford 12 Mansfield Road Oxford OX1 3TA UK
2. Current address: Department of Pharmaceutical and Biological Chemistry UCL (University College London) School of Pharmacy 29–39 Brunswick Square London WC1N 1AX UK
3. Department of Theoretical Chemistry Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM) Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands
4. Oncology R&D AstraZeneca Cambridge CB4 0WG UK