1. Institute of Pharmacy, Department of Pharmaceutical Chemistry, and Center for Molecular Biosciences (CMBI), University of Innsbruck, Innrain 52, A-6020 Innsbruck, Austria; Department of Biochemical Pharmacology, Innsbruck Medical University, Peter-Mayr-Str. 1, A-6020 Innsbruck, Austria; and Accelrys SARL, Parc Club Orsay Université, 20, rue Jean Rostand, 91898 Orsay Cédéx, France