1. BIOVIA, Dassault Systèmes Deutschland GmbH, Imbacher Weg 46, D-51379 Leverkusen, Germany
2. UFZ—Helmholtz Centre for Environmental Research, Permoserstraße 15, D-04318 Leipzig, Germany
3. Institute of Biophysics, Johannes Kepler University, Gruberstraße 40, 4020 Linz, Austria
4. Institute of Chemistry, University of Halle-Wittenberg, Kurt Mothes Str. 2, D-06120 Halle, Germany
5. Institute of Physical and Theoretical Chemistry, University of Regensburg, Universitätsstraße 31, D-93053 Regensburg, Germany