C6 - Molecular Modelling, Quantum Chemistry

Chair: Sophia Candeloro De Sanctis (Italy), Co-chair: P. Capkova (Czech Republic)

15.45 Piet Gros Molecular Dynamics in Crystallography A
16.25 W.L. Duax, J.F. Griffin Steroid Receptor Binding: A Comparison of An Empirical Model and the Observed Structure A
16.45

Break
17.10 M. Milanesio, P. Ugliengo, D. Viterbo, G. Appendino Structural and Conformational Studies on Taxoid Antitumor Drugs A
17.30 P. Hobza H-Bonding in DNA Base Pairs A
17.50 V.S. Urusov Minimization of Cohesion Energy for Partially Covalent Crystals Using Semiempiric Interactions Potentials A
18.10   Discussion