Owing to the increase in freely available software and data for cheminformatics and structural bioinformatics, research for computer-aided drug design (CADD) is more and more built on modular, reproducible, and easy-to-share pipelines. While documentation for such tools is available, there are only a few freely accessible examples that teach the underlying concepts focused on CADD, especially addressing users new to the field. Here, we present TeachOpenCADD, a teaching platform developed by students for students, using open source compound and protein data as well as basic and CADD-related Python packages. We provide interactive Jupyter notebooks for central CADD topics, integrating theoretical background and practical code. TeachOpenCADD is freely available on GitHub: https://github.com/volkamerlab/TeachOpenCADD.
CITATION STYLE
Sydow, D., Morger, A., Driller, M., & Volkamer, A. (2019). TeachopenCadd: A teaching platform for computer-aided drug design using open source packages and data. Journal of Cheminformatics, 11(1). https://doi.org/10.1186/s13321-019-0351-x
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