1. Computational Chemistry and Biology Group; Facultad de Química; UdelaR, Isidoro de María 1614 Montevideo 11800 Uruguay
2. Department of Chemistry and Molecular Biology; University of Gothenburg; Göteborg 405 30 Sweden
3. Pharmaceutical Science Department; Facultad de Química; UdelaR, General Flores 2124 Montevideo 11800 Uruguay