1. Department
of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, QC H3A
0B8, Canada
2. Department
of Microbiology and Molecular Genetics, School of Medicine, University of Pittsburgh, 450 Technology Drive, Pittsburgh, Pennsylvania 15219-3143, United States
3. Joint
IRB−BSC program on Computational Biology, Institute for Research
in Biomedicine, Barcelona Supercomputing Center, and Department of
Biochemistry, University of Barcelona, Baldiri Reixac 10-12, 08028 Barcelona, Spain
4. Instituto de Química Física Rocasolano, CSIC, C/ Serrano 119, 28006 Madrid, Spain