1. Institute of Pharmacy, University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria
2. Small Molecule Design & Development, Eli Lilly and Company, Indianapolis, Indiana 46285, United States
3. School of Pharmacy, University of Wisconsin − Madison, 777 Highland Avenue, Madison, Wisconsin 53705, United States
4. Avant-garde Materials Simulation Deutschland GmbH, Alte Strasse 2, 79249 Merzhausen, Germany