1. Instituto de Química
Física “Rocasolano”, CSIC, Serrano 119, 28006 Madrid, Spain
2. Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal,
Quebec H3A 0B8, Canada
3. Joint
IRB-BSC Program on Computational
Biology, Institute for Research in Biomedicine, Barcelona Supercomputing
Center, and Department of Biochemistry, University of Barcelona, Baldir I Reixac 10-12, 08028 Barcelona, Spain