1. Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), D-69118 Heidelberg, Germany
2. Faculty of Biosciences, Heidelberg University, D-69120 Heidelberg, Germany
3. Tydock Pharma srl, Strada Gherbella 294/B, 41126 Modena, Italy
4. Clinical and Experimental Medicine PhD Program, University of Modena and Reggio Emilia, 41121 Modena, Italy
5. Faculty of Physics, University of Warsaw, 02-093 Warsaw, Poland
6. Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125 Modena, Italy
7. Department of Biotechnology, Chemistry and Pharmacy, University of Siena, 53100 Siena, Italy
8. Fraunhofer Institute for Translational Medicine and Pharmacology ITMP, Discovery Research ScreeningPort, Schnackenburgallee 114, D-22525 Hamburg, Germany
9. Instituto de Investigação e Inovação em Saúde, Institute for Molecular and Cell Biology, Universidade do Porto, 4200-135 Porto, Portugal
10. Faculty of Pharmacy, University of Porto, 4050-313 Porto, Portugal
11. Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, D-69120 Heidelberg, Germany
12. Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, D-69120 Heidelberg, Germany