1. Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc, tr. 17. listopadu 12, 771 46 Olomouc, Czech Republic, Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno, Czech Republic, Joint Research Program in Computational Biology, Institut de Recerca Biomédica and Barcelona Superocomputing Center, Baldiri i Reixac 10, Barcelona 08028, Spain, Jordi Girona 31, Barcelona 08028, Spain...