College of Chemistry, Fuzhou University, Fuzhou, 350002, China.|Institute of Biochemistry and Molecular Biology, Medical School, RWTH Aachen University, 52057, Aachen, Germany.|Computational Biomedicine, Institute for Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jxc3xbclich, 52425, Jxc3xbclich, Germany.|Computational Biomedicine, Institute for Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jxc3xbclich, 52425, Jxc3xbclich, Germany. g.rossetti@fz-juelich.de.|Institute of Biochemistry and Molecular Biology, Medical School, RWTH Aachen University, 52057, Aachen, Germany. luescher@rwth-aachen.de.