1. School of Pharmaceutical Sciences, University of Geneva, Rue Michel Servet 1, 1206 Genève, Switzerland
2. Institute of Pharmaceutical Sciences of Western Switzerland (ISPSO), University of Geneva, 1206 Genève, Switzerland
3. Swiss Institute of Bioinformatics, University of Geneva, 1206 Genève, Switzerland
4. Atomistic Simulations, Italian Institute of Technology, Via Enrico Melen 83, 16152 Genova, Italy
5. Department of Chemistry, University College London, WC1E 6BT London, U.K.