Tuesday, November 3, 2015
Time | Event | |
14:00 - 14:20 | Arrival & Welcome - Arrival & Welcome | |
14:20 - 17:40 | G-quadruplexes - Célia Fonseca Guerra | |
14:20 - 15:00 | › Duplex and G-quadruplex DNA-binding of synthetic molecules in the search of novel anticancer drugs: experimental and computational studies - Giampaolo Barone, Università di Palermo | |
15:00 - 15:30 | › 5-Substituted uracils: Another brick in the quad - Gabor Paragi, University of Szeged [Szeged] | |
16:00 - 16:40 | › Sequence determines the structure and microsecond-scale dynamics of B-DNA and its bound cations. - Marco Pasi, Institut de biologie et chimie des protéines [Lyon] | |
16:40 - 17:10 | › Unravelling the Structure of Silver-Mediated DNA Homopolymers using ab initio Computational Tools - Leonardo Espinosa, Centre of Excellence, Department of Applied Physics | |
17:10 - 17:40 | › Ion Selectivity at the Internal Cavity Site of G-Quadruplexes: a Quantum-Chemical Approach - Francesco Zaccaria, VU University Amsterdam | |
15:30 - 16:00 | Coffee break |
Wednesday, November 4, 2015
Time | Event | |
09:00 - 11:50 | DNA Tandem Lesions - Michael Sevilla | |
09:00 - 09:40 | › Studying the response to ionizing radiation (IR): An experimental and theretical approach - Alexandros Georgakilas, National Technical University of Athens [Athens] | |
09:40 - 10:10 | › Damaged DNA Structures Determination by Means of Molecular Dynamics - Emmanuelle Bignon, Institut des Sciences Analytiques | |
10:40 - 11:20 | › Radiation-induced formation of tandem lesions : mechanistic aspect. - Jean-Luc Ravanat, Commissation à l'Energie Atomique | |
11:20 - 11:50 | › Applying a coarse-grained model to investigate structure and dynamics of oxidatively generated DNA lesions - Tomáš Dršata, Institute of Organic Chemistry and Biochemistry | |
10:10 - 10:40 | Coffee break | |
11:50 - 14:00 | Lunch | |
14:00 - 14:20 | Poster session - Poster session | |
14:20 - 17:20 | DNA and Low-energy electrons - Elise Dumont | |
14:20 - 15:00 | › Free Radical Mechanisms of Radiation Damage to DNA: The role of the aqueous electron - Michael Sevilla, Oakland University (USA) | |
15:00 - 15:30 | › Understanding the Interactions between Low Energy Electrons and DNA in Aqueous Solution - Maeve Mc Allister, Queen's University Belfast [Belfast] | |
16:00 - 16:40 | › Intermolecular electron transfer in DNA damage and repair: insights from excited state calculations - Tatjana Domratcheva, Max Planck institute for Medical Research | |
16:40 - 17:20 | › DNA Damage by UV light, OH/H radicals and low-energy electrons: a theoretical insight from CASSCF/CASPT2 computations - Daniel Roca Sanjuan, Universitat de València | |
15:30 - 16:00 | Coffee break |
Thursday, November 5, 2015
Time | Event | |
09:00 - 11:50 | DNA Photosensitization - Antonio Monari | |
09:00 - 09:40 | › Photoinduced Processes in Nucleic Acids: From Prebiotic Synthesis to Stability of Genetic Code - Mario Barbatti, Institut de Chimie Radicalaire | |
09:40 - 10:10 | › Tuning Excited State Properties of Photosensitizers by Rational Functionalization - Juan José Nogueira, University of Vienna | |
10:40 - 11:20 | › Photophysics and Photochemistry in DNA: How little we know, How much to discover - Roberto Improta, Universita di Napoli Federico II | |
11:20 - 11:50 | › DNA Electronic Circular Dichroism Spectra at the Inter-Base Pair Scale - Florent Di Meo, Department of Physics, Chemistry and Biology | |
10:10 - 10:40 | Coffee break | |
11:50 - 14:00 | Lunch | |
14:00 - 14:20 | Poster session - Poster session | |
14:20 - 17:10 | DNA lesions and reactivity - Filip Lankas | |
14:20 - 15:00 | › Simulations of Complex Chemical Reactions. The Case of the Enzymatic C5-Methylation of DNA - Iñaki Tuñon, Universitat de València | |
15:00 - 15:30 | › Structural communication in DNA binding domains of transcription factors: how interactions with DNA, mutations or post-translational modifications reshape the interfaces for cofactor recruitment - Elena Papaleo, Danish Cancer Research Center | |
16:00 - 16:40 | › Revisiting Rare Tautomeric Forms in DNA: A Theoretical Model for Predicting Genetic Mutations - José Cerón Carrasco, Universidad de Murcia | |
16:40 - 17:10 | › Structural and mechanistic study of dUTPases reveals the catalytic roles of an arginine finger-like residue - Reynier Suardiaz, King's College London | |
17:10 - 17:40 | Round table - Round table |
Friday, November 6, 2015
Time | Event | |
09:00 - 11:40 | Photochemistry / Photophysics - Marco Garavelli | |
09:00 - 09:40 | › Reactivity of the triplet excited state of thymine and its derivatives - Virginie Lhiaubet-Vallet, Universitat Politecnica de Valencia [Espagne] | |
09:40 - 10:10 | › Monitoring the UV-photoinduced events in solvated nucleosides: first steps towards accurate time-resolved non-linear electronic spectroscopy - Javier Segarra-Martí, Università di Bologna [Bologna] | |
10:40 - 11:10 | › A theoretical study on the OH/H radical addition to DNA/RNA pyrimidines and the photochemistry of the adducts - Antonio Francés-Monerris, Instituto de Ciencia Molecular | |
11:10 - 11:40 | › Ultrafast Population of the Benzophenone Triplet Manifold: a Photochemical Study for an Improved Understanding of DNA Photosensitization - Marco Marazzi, Structure et Réactivité des Systèmes Moléculaires Complexes | |
11:40 - 12:10 | Conclusive remarks - Conclusive remarks |