1. Department of Chemistry and Institute of Chemical Biology, Imperial College London, South Kensington SW7 2AZ, United Kingdom
2. San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Drive MC0505, La Jolla, California 92093-0505, United States
3. Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive MC0505, La Jolla, California 92093-0505, United States
4. Department of Biomedicine, University of Bergen, N-5009 Bergen, Norway