Program, Speakers & Schedules

DAY 1 Monday  Sept. 5th

09:00-09:05 h \ WELCOME:  Univ.-Prof. Priv.-Doz. Mag. Dr.rer.nat. Christian Wadsack (Dean of Doctoral Studies, Med Uni Graz), Univ.-Prof. Mag. Dr. ret. nat. Gilbert Reibnegger (Head of the Division of Medicinal Chemistry, Med Uni Graz)

09:05 – 12:00 h \ SESSION I: Determination of biological structures.

Speaker: Univ. Prof. Dr. Karl Gruber, Institute of Molecular Biosciences, University of Graz

14:00 – 18:00 h \ PRACTICAL SESSION I: Experimental structure determination, refinement, and validation.

18:00 – 20:00 h \ SOCIAL EVENT & NETWORKING

DAY 2 Tuesday Sept. 6th

09:00-12:00 h \ SESSION II: NMR-based methods for drug design.

Speaker: Ass. Prof. Dr. Julien Orts, University of Vienna, Faculty of Life Sciences, Department of Pharmaceutical Sciences,Division of Pharmaceutical Chemistry

14:00 – 18:00 h \ PRACTICAL SESSION II: Structure determination of a small molecule using NMR-based data and CYANA (or similar program).

Automated structure calculation of protein-ligand complex with CYANA

DAY 3 Wednesday Sept. 7th

09:00-12:00 h \ SESSION III: Chemical structure and reactivity.

Speaker: Dr. Boris Maryasin, University of Vienna, Institute of Theoretical Chemistry

14:00 – 18:00 h \ PRACTICAL SESSION III: geometry optimization, exploration and elucidation of chemical reaction mechanisms.

DAY 4 Thursday  Sept. 8th

09:00-12:00 h \ SESSION IV: Molecular interactions and docking.

Speaker: Dr. Antonio Morreale, Repsol Technology Lab, Madrid, Spain.

14:00 – 18:00 h \ PRACTICAL SESSION IV: Molecular docking and high-throughput screening.

DAY 5 Friday  Sept. 9th

09:00-12:00 h \ SESSION V: Beyond the static view of proteins.

Speaker: Univ. Prof. Dr. Federico Gago, University Of Alcala, Department Of Biomedical Sciences. Madrid, Spain

14:00 – 18:00 h \ PRACTICAL SESSION V: Molecular Dynamics simulations and biological structures