1. Institute for Neuroscience and Medicine (INM-9), Forschungszentrum Jülich, Jülich, 52425, Germany
2. Institute for Advanced Simulations (IAS-5) “Computational biomedicine”, Forschungszentrum Jülich, Jülich, 52425, Germany
3. Faculty of Mathematics, Computer Science and Natural Sciences, RWTH Aachen, Aachen, 52062, Germany
4. Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloss-Wolfsbrunnenweg 35, Heidelberg, 69118, Germany
5. Institute of Pharmacy and Molecular Biotechnology (IPMB), Heidelberg University, Im Neuenheimer Feld 364, Heidelberg, 69120, Germany
6. Science for Life Laboratory & Swedish e-Science Research Center, Department of Applied Physics, KTH Royal Institute of Technology, Stockholm, 11428, Sweden
7. Department of Screening Port, Fraunhofer Institute for Translational Medicine and Pharmacology ITMP, Schnackenburgallee 114, Hamburg, 22525, Germany
8. Elettra-Sincrotrone Trieste S.C.p.A., SS 14-km 163,5 in AREA Science Park, Basovizza, Trieste, 34149, Italy
9. Dompé Farmaceutici SpA, Via Campo di Pile, L’Aquila, 67100, Italy
10. Department of Drug Science and Technology, University of Turin, via Giuria 9, Turin, 10125, Italy
11. Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, SE-106 91, Sweden
12. Institute for Molecular Neuroscience and Neuroimaging (INM-11), Forschungszentrum Jülich, Jülich, 52425, Germany
13. Zentrum für Molekulare Biologie der University Heidelberg, DKFZ-ZMBH Alliance, INF 282, Heidelberg, 69120, Germany
14. Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, INF 368, Heidelberg, 69120, Germany
15. Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology, University of Bologna, Bologna, 40126, Italy
16. Jülich Supercomputing Center (JSC), Forschungszentrum Jülich, Jülich, 52425, Germany
17. Department of Hematology, Oncology, Hemostaseology, and Stem Cell Transplantation, RWTH Aachen University, Aachen, 44517, Germany