1. Johannes Gutenberg-University of Mainz, 55128 Mainz, Germany
2. Intel Visual Computing Institute, Saarland University, 66123 Saarbrücken, Germany
3. Center for Bioinformatics, Saarland University, 66123 Saarbrücken, Germany
4. Lead Identification and Optimization Support, Boehringer-Ingelheim Pharma GmbH & Co. KG, 88397 Biberach, Germany