1. Department of Pharmaceutical/Medicinal Chemistry II Institute of Pharmacy University of Regensburg Universitätsstr. 31 93053 Regensburg Germany
2. Institute for Pharmaceutical and Medicinal Chemistry Heinrich Heine University Düsseldorf Universitätsstr. 1 40225 Düsseldorf Germany
3. Computer Chemistry Center Department of Chemistry and Pharmacy University of Erlangen-Nürnberg Nägelsbachstr. 25 91052 Erlangen Germany
4. John von Neumann Institute for Computing (NIC) Jülich Supercomputing Centre (JSC) & Institute for Complex Systems—Structural Biochemistry (ICS 6) Forschungszentrum Jülich GmbH Wilhelm-Johnen-Str. 52425 Jülich Germany