Computational Biomedicine, Institute for Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jülich, Jülich, Germany.|Institute of Biophysics of the Czech Academy of Sciences, Brno, Czech Republic.|Department of Chemistry, University of Washington, Seattle, Washington, United States of America.|Department of Chemistry, University of Washington, Seattle, Washington, United States of America.|Institute of Biophysics of the Czech Academy of Sciences, Brno, Czech Republic.|Computational Biomedicine, Institute for Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jülich, Jülich, Germany.