1. Medicinal Chemistry Institute Spanish Research Council Madrid Spain
2. Department of Biochemistry and Physiology, CIBERNED Faculty of Pharmacy and Food Sciences Universitat de Barcelona Barcelona Spain
3. Laboratory of Computational Medicine, Biostatistics Unit Faculty of Medicine Universitat Autónoma de Barcelona Barcelona Spain
4. Department of Biochemistry and Molecular Biology, CIBERNED, IRYCIS Faculty of Medicine Universidad Complutense de Madrid Madrid Spain
5. Present address: Computational Chemistry Janssen Research & Development, Janssen Pharmaceutica N.V. Belgium
6. Department of Biochemistry and Molecular Biology, CIBERNED School of Chemistry Universitat de Barcelona Barcelona Spain