Vršac, 15-18 November 2007
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Vršac, 15-18 November 2007 |
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Program Thursday, November 15, 2007 14:00 -17:00 Registration 17:00 Welcome remarks 17:30 Horst Borrmann, Max-Planck-Institut für Chemische Physik fester Stoffe, Dresden, Germany Weak interactions in the crystal structures of small molecules 18:00 Miljenko Perić, University of Belgrade, Serbia Ab initio studies of vibronic and spin-orbit structures of small molecules 18:30 Welcome reception
Friday, November 16, 2007 Noncovalent interactions in biological sytems 09:30 Sanja Tomić, Rudjer Bošković Institute, Zagreb, Croatia Non covalent interactions in protein complexes 10:00 Ljiljana Došen-Mićović, University of Belgrade, Serbia Noncovalent interactions and selectivity of opioid receptors 10:30 – 11:00 Coffee break 11:00 Ilza Pajeva, Bulgarian Academy of Sciences, Sofia, Bulgaria Modeling of drug - P-glycoprotein interactions 11:30 Gabor Naray-Szabo, Eotvous University Budapest, Hungary Theoretical Aspects of Molecular Recognition 12:00 Mario Zlatović, University of Belgrade, Serbia Protein-ligand interactions beyond the molecular mechanics forcefield - refining of the docking structures of different arylpiperazines in 5-HT1A receptor 12:30 – 14:30 Lunch Theoretical studies of noncovalent interactions 14:30 Matthias Ullmann, University of Bayreuth, Germany Electrostatics in Protein Function: From Molecular Structures to Thermodynamics and Kinetics 15:00 Jörg Grunenberg Technische Universität Braunschweig, Germany Characterizing Noncovalent Bond Strength Using Generalized Compliance Constants 15:30 Ljupco Pejov, Sts. Cyril and Methodius University, Macedonia Modeling of cryospectroscopic IR and Raman data by combined statistical physics - quantum mechanical approaches 16:00- 16:30 Coffee break 16:30 Fanica Cimpoesu, Romanian Academy, Romania Van der Waals forces and subsequent structural effects in noble gas encapsulated fullerenes. New data and theoretical methodologies 17:00 Georgi Vayssilov, University of Sofia, Bulgaria Computational studies of the interaction of guest species in zeolite cavities 17:30- 19:00 Posters
Saturday, November 17, 2007 Experimental electron density and magnetism 09:00 Anne Spasojevic-de Biré, Ecole Centrale Paris, France Electron density and electrostatic properties of a cytosine-decavanadate co-crystal: a wide diversity of H-bonds interactions 09:30 Marilena Ferbinteanu, University of Bucharest, Romania The subtle forces of polynuclear and supramolecular assembling. Case studies on exchange coupling and self assembling 10:00 Goran Bogdanović, Institute “Vinča”, Belgrade, Serbia Experimental charge density analysis and noncovalent interactions 10:30 – 11:00 Coffee break Noncovalent interaction in systems containing metals 11:00 Christoph Janiak, Universität Freiburg, Germany Recent case studies on non-covalent interactions 11:30 Rinaldo Poli, CNRS, Toulouse, France Non-conventional hydrogen bonds in transition metal hydride complexes 12:00 Ioan Silaghi-Dumitrescu, “Babes-Bolyai” University, Cluj-Napoca, Romania Theoretical study of metal-metal interactions in small metal clusters 12:30 – 14:30 Lunch 14:30 Slobodan Macura, Mayo Clinic, Rochester, Minnesota, USA NMR studies of noncovalent interactions in biomacromolecules 15:00 Jean-Pierre Djukić, CNRS, Strasbourg, France Non-covalent interactions in organometallic chemistry: New occurrences, New challenges and New directions for stereoselectivity? 15:30-16:00 Coffee break 16:00 Michael Hall, Texas A & M University, U.S.A. Separating Electronic, Steric, and Packing Interactions Utilizing Density Functional Theory (Or Not!) 16:30 Zoran Tomić, Institute “Vinča”, Belgrade, Serbia Exploring the role of stacking interactions in the association of square planar metal complexes. A Structural Database Study 17:00 Ionel Haiduc, “Babes-Bolyai” University, Cluj-Napoca, Romania Noncovalent interactions in supramolecular organometallic compounds 17:30-19:00 Posters 20:00 Conference dinner
Sunday, November 18, 2007 Excursion |
