Computational drug design is a highly interdisciplinary process, which involves medicinal chemists, pharmacologists and computational scientists. This course will address key topics in cheminformatics and molecular modeling. We will develop computational models for discriminating between biologically active and inactive molecules using three-dimensional pharmacophores, and learn about state-of-the-art structure- and ligand-based modeling techniques. In addition, we will work in Python using Jupyter notebooks based on TeachOpenCADD, an open source cheminformatics teaching framework developed (see https://github.com/volkamerlab/TeachOpenCADD) The course will be offered as a block in early 2021 to fit to the schedule of all participants. To enroll, please contact Prof. Gerhard Wolber before December 15, 2020. Schließen