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Description: In this hands-on lecture, students learn about various methods, including available software tools and libraries, that support data generation and analysis in different areas of computer-aided drug design (CADD). The course will sensitize students to the straightforward and profitable use of bio-/cheminformatics methods. It is designed to enable students to build their own CADD pipeline, including protein target preparation, compound library assembly and filtering, protein-ligand docking and result evaluation. The course will be composed of lectures to explain the various theories, a brief introduction to Python programming using interactive Jupyter notebooks and exercises in which students will develop their own scripts, leaning on TeachOpenCADD ( https://github.com/volkamerlab/teachopencadd). |
