1. Faculty of Pharmacy, University of Ljubljana, Aškerčeva 7, SI-1000 Ljubljana, Slovenia, Center for Molecular Modelling and Laboratory for Molecular Modelling, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia, Lek Pharmaceuticals d.d., Drug Discovery, Verovškova 57, 1526 Ljubljana, Slovenia, and Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana, Slovenia