1. CHINOIN, Ltd, H-1045 Budapest, Tó u. 1-5, Hungary, Protein Modeling Group, Hungarian Academy of Sciences, Eötvös Loránd University, H-1117 Budapest, Pázmány Péter u. 1a, Hungary, and Co-operation Research Center for Molecular Design, Semmelweis University, H-1062 Budapest, Rippl-Rónai u. 37, Hungary