1. Department of Chemistry and Material Science, School of Chemical Engineering, Aalto University, Kemistintie 1, 02150 Espoo, Finland
2. Universal Prediction AB, 42677 Gothenburg, Sweden
3. Department of Pharmaceutical Biosciences, Uppsala University, Husargatan 3, 75124 Uppsala, Sweden
4. Department of Chemistry and Molecular Biology, University of Gothenburg, Kemigården 4, 41296 Gothenburg, Sweden