Program, Speakers & Schedules

The workshop is planned for the week September 5th-9th 2022 at the Med Campus. It will consist of talks in the morning (9:00-12:30 h with a break from 10:30 to 11:00) and practical sessions in the afternoon (13:30-16:30 h). Lectures and practical sessions will be led by experts in the field.

Proposed Program:

DAY 1 Monday  Sept. 5th

SESSION I: Determination of biological structures.

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

PRACTICAL SESSION I: Introduction to Linux, visualization of structures in the computer, and refinement of a protein structure with Phenix.

DAY 2 Tuesday Sept. 6th

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

PRACTICAL SESSION II: Structure determination of a small molecule using NMR-based data and CYANA (or similar program).

DAY 3 Wednesday Sept. 7th

SESSION III: Chemical structure and reactivity.

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

PRACTICAL SESSION III: geometry optimization, exploration and elucidation of chemical reaction mechanisms.

DAY 4 Thursday  Sept. 8th

SESSION IV: Structure-based design.

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

PRACTICAL SESSION IV: Molecular docking and high-throughput screening.

DAY 5 Friday  Sept. 9th

SESSION V: Macromolecular motions.

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

PRACTICAL SESSION V: Molecular Dynamics simulations and biological structures