The advanced training course teaches the theory and practice the modelling of protein structures and the investigation of protein-ligand interactions. Chimera is used to visualize a known protein structure and to identify potential binding sites for a ligand. The focus is on the treatment of globular protein structures as macroscopic interaction partners. Subsequently, protein-ligand dockings are performed and evaluated with various scoring functions to find the most likely conformation and orientation of the ligand in the binding pocket. Another focus of the course is the automated treatment of a large number of possible ligands in the form of a virtual high-throughput screening of a substance library to be created. For this purpose, possibilities are presented on how to easily prepare, execute and analyse a large number of calculations in a simple manner.
Target group: Natural scientists, chemists, biologists, physicians, biotechnologists and pharmacists in research and development. Apart from computer basics and the most elementary fundamentals of the construction of biological macro-molecules, no special previous knowledge is required.
— Please note that this course will be held in German —
Further information and registration: https://dechema-dfi.de/ProteinLigand.html
Event host: DECHEMA/Computer-Chemie-Centrum der Universität Erlangen-Nürnberg
Event venue: Computer-Chemie-Centrum der Universität Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen