1. Laboratory of Molecular Modeling & Drug Discovery, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genoa, Italy
2. CompuNet, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genoa, Italy
3. D3-PharmaChemistry, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genoa, Italy
4. Department
of Dermatology and Biological Chemistry, University of California, 202 Sprague Hall, 92697-2400 Irvine, United States
5. IAS-5/INM-9 Computational Biomedicine Forschungszentrum Jülich, Wilhelm-Johnen-Straße, 52428 Jülich, Germany