Program

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
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15:00 - 15:30 › 5-Substituted uracils: Another brick in the quad - Gabor Paragi, University of Szeged [Szeged]
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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]
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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
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17:10 - 17:40 › Ion Selectivity at the Internal Cavity Site of G-Quadruplexes: a Quantum-Chemical Approach - Francesco Zaccaria, VU University Amsterdam
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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]
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09:40 - 10:10 › Damaged DNA Structures Determination by Means of Molecular Dynamics - Emmanuelle Bignon, Institut des Sciences Analytiques
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10:40 - 11:20 › Radiation-induced formation of tandem lesions : mechanistic aspect. - Jean-Luc Ravanat, Commissation à l'Energie Atomique
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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
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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)
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15:00 - 15:30 › Understanding the Interactions between Low Energy Electrons and DNA in Aqueous Solution - Maeve Mc Allister, Queen's University Belfast [Belfast]
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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
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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
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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
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09:40 - 10:10 › Tuning Excited State Properties of Photosensitizers by Rational Functionalization - Juan José Nogueira, University of Vienna
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10:40 - 11:20 › Photophysics and Photochemistry in DNA: How little we know, How much to discover - Roberto Improta, Universita di Napoli Federico II
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11:20 - 11:50 › DNA Electronic Circular Dichroism Spectra at the Inter-Base Pair Scale - Florent Di Meo, Department of Physics, Chemistry and Biology
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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
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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
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16:00 - 16:40 › Revisiting Rare Tautomeric Forms in DNA: A Theoretical Model for Predicting Genetic Mutations - José Cerón Carrasco, Universidad de Murcia
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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
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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]
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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]
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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
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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
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11:40 - 12:10 Conclusive remarks - Conclusive remarks  
  
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