“From Molecular Structure to Systems Biology” Convegno Nazionale della Divisione di Chimica dei Sistemi Biologici della Società Chimica Italiana San Vito di Cadore – 9-11 September 2010 PRELIMINARY TIME TABLE Thursday, 9th September 2010 – Morning Session Chairmen: G. Colombo, Milano (Italy) and M. Coletta, Roma (Italy) Computational Biology 8:30-9:30 Registration 9:30-9:40 Opening. Greetings from authorities 9:40-10:20 M. Olivucci, Siena (Italy): Towards a Computational Photobiology 10:20-10:40 D. Piovesan, Bologna (Italy): Protein structure prediction in the genomic era: annotation-facilitated remote homology detection Coffee break 10:40-11:10 11:10-11:50 11:50-12:10 12:10-12:30 12:30-14:30 R. Casadio, Bologna (Italy): Trans-linking the protein-protein interactome at the cell level G. Morra, Milano (Italy): Structural dynamics and allosteric inhibition of the chaperone protein Hsp90 A. Genoni, Milano (Italy): Unraveling the resistance shown by the Subtype B / HIV-1 Protease to currently known inhibitors by means of computational studies Lunch Thursday, 9th September 2010 – Afternoon Session Chairmen: M. Fasano, Varese (Italy) and C. Isernia, Caserta (Italy) 14:30-15:10 15:10-15:50 15:50-16:10 16:10-16:40 16:40-17:20 17:20-18:00 18:00-19:30 Molecular basis of diseases G. Superti-Furga, Vienna (Austria): Molecular Networks and the Mechanism of Action of Drugs G. Legname, Trieste (Italy): Prion Biology and Disease G. R. Tundo, Roma (Italy): Somatostatin Modulates Insulin-Degrading-Enzyme Metabolism: Implication For Alzheimer’s Disease Pathogenesis Coffee Break F. Chiti, Firenze (Italy): Identification of the molecular determinants of amyloid fibril formation in vivo F. Cantini, Firenze (Italy): Molecular basis of Human diseases: an NMR view Premio De Santis Poster Session Friday, 10th September 2010 – Morning Session Chairmen: E. Peggion, Padova (Italy) and R. Fattorusso, Napoli (Italy) Structure and Function of biomolecules I 9:00-9:40 H. Monaco, Verona (Italy): The intriguing role of SOUL protein 9:40-10:00 10:00-10:40 10:40-11:10 11:10-12:00 12:00-12:40 12:40-14:50 D. Montesarchio, Napoli (Italy): CyPLOS, a new family of synthetic ion transporters F. Formaggio, Padova (Italy): 2D IR spectroscopy of oligopeptides conformationally restrained by Cα,α-dialkylated α-amino acid residues Coffee break A. Yonath, Rehovot (Israel): The amazing ribosome, its tiny enemies and hints about its origin L. Stella, Roma (Italy): Different mechanisms of action of antimicrobial peptides: insights from fluorescence spectroscopy experiments and molecular dynamics simulations Lunch Friday, 10th September 2010 – Afternoon Session Chairmen: H. Molinari, Verona (Italy) and R. Purrello, Catania (Italy) Structure and Function of biomolecules II 14:50-15:10 M. D'Onofrio, Verona (Italy): An NMR study on human Liver FABP as carrier for MRI contrast agents 15:10-15:30 G. Ponterini, Modena (Italy): Physico-chemical tools in anticancer drug research: targeting human Thymidylate synthase with synthetic octapeptides 15:30-15:50 M. De Zotti, Padova (Italy): Synthesis, Conformation, and Bioactivity of Integramide A, a Peptide Inhibitor of HIV-1 Integrase, and Selected Analogs 15:50-16:10 F. Bellia, Catania (Italy): New carnosine derivatives and analogs: synthesis, carnosinase resistance and characterization of their copper(II) complexes 16:10-16:40 Coffee Break 16:40-17:20 Systems Biology and Chemistry G. Von Kiedrowski: Systems Chemistry: Replicators and Assemblers 17:20-17:40 R. Di Stasi, Napoli (Italy): Helical peptide as VEGF antagonist 17:40-18:00 18:00-19:00 A. D'Urso, Catania (Italy): Z-DNA recognition in B-Z-B sequences by a cationic zinc porphyrin Division Meeting 19:00-19:30 Concert by "San Vito" Choir 20:00 Social Dinner (Borca di Cadore, 4Km from San Vito) Saturday, 11th September 2010 Chairmen: G. Fossati, Milano (Italy) and A. Rosato, Firenze (Italy) 9:00-9:40 9:40-10:00 10:00-10:20 10:20-10:40 10:40-11:10 11:10-11:50 Macromolecular interactions M. Bolognesi, Milano (Italy): NF-Y, a sequence-specific histone-like trimer in complex with the CCAAT box B. Pagano, Salerno (Italy): Calorimetric approach to the study of quadruplexbinding agents M. Leone, Napoli (Italy): NMR studies of heterotypic Sam-Sam domain interactions A. Bordogna, Milano (Italy): ZADDOCK: incorporating ab initio search into HADDOCK Coffee break 12:10-12:20 M. Assfalg, Verona (Italy): Structural plasticity and binding cooperativity make liver fatty acid binding proteins ideal chaperones of lipids and lipidfunctionalized drugs B. Mannini, Firenze (Italy): Suppression of protein oligomer toxicity by molecular chaperones and insight into the molecular mechanism of such suppression Final Remarks 12:20 Meeting closure 12:25 Bus transfer departure for Venice Airport – "Ve-Mestre" Train station. 11:50-12:10