1. Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece
2. Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
3. Department of Biological Sciences, University of Calgary, Calgary T2N 1N4 Alberta, Canada
4. Centre for Molecular Simulation, University of Calgary, Calgary T2N 1N4 Alberta, Canada
5. Molecular Microbiology and Structural Biochemistry, (MMSB, UMR 5086), CNRS & University of Lyon, 69367 Lyon, France
6. Laboratory of Biology and Modeling of the Cell, École Normale Supérieure de Lyon, Université Claude Bernard Lyon 1, CNRS UMR 5239 and Inserm U1293, 46 Allée d’Italie, 69364 Lyon, France