1. Laboratory
for Computational Biophysics, German Research School for Simulation
Sciences (GRS), Forschungszentrum Jülich-RWTH Aachen, 52425 Jülich, Germany
2. Computational
Biomedicine Section (INM-9), Institute for Neuroscience and Medicine
(INM), and Institute of Advanced Simulation (IAS), Forschungszentrum Jülich, 52425 Jülich, Germany
3. Jülich
Supercomputing Center (JSC), Forschungszentrum Jülich, 52425 Jülich, Germany
4. Department
of Oncology, Hematology and Stem Cell Transplantation, University Hospital Aachen, RWTH Aachen University, Pauwelsstraße 30, 52074 Aachen, Germany
5. Laboratory
of Molecular Modeling and Drug Discovery, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genoa, Italy