1. Laboratoire d'Infochimie, UMR 7551 CNRS, Université Louis Pasteur, 4, rue B. Pascal, Strasbourg 67000, France
2. GSF- Institute for Bioinformatics, Neuherberg D-85764, Germany, and Institute of Bioorganic & Petrochemistry, Kiev, Ukraine
3. Department of Chemistry, Moscow State University, Moscow 119992, Russia
4. Institute of Physical Chemistry, Russian Academy of Sciences, Leninskiy prospect 31a, Moscow 119992, Russia