1. Computer-Chemistry-Center, Department of Chemistry and Pharmacy, Friedrich-Alexander-University Erlangen-Nuernberg, Naegelsbachstraße 25, 91052 Erlangen, Germany
2. Institute of Medical Physics and Biophysics, Faculty of Medicine, University of Leipzig, 04109 Leipzig, Germany
3. Pharmaceutical Sciences, University of Geneva, CH1206 Geneva, Switzerland
4. Institute of Pharmaceutical Sciences of Western Switzerland, CH1206 Geneva, Switzerland
5. Chemistry Department, University College London, WC1H 0AJ London, United Kingdom
6. Swiss Bioinformatics Institute, CH1206 Geneva, Switzerland