1. Université de Québec, INRS─Centre Armand-Frappier Santé Biotechnologie, Laval, Quebec H7V 1B7, Canada
2. Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Rio de Janeiro 22290-270, Brazil
3. Department of Chemistry, Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, Hradec Kralove 50003, Czech Republic
4. Chemical Computing Group, Montreal Quebec H3A 2R7, Canada