diff --git a/README.md b/README.md index 98c93a6e..69832f31 100644 --- a/README.md +++ b/README.md @@ -109,41 +109,73 @@ To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0 ## Citation -If you make use of the TeachOpenCADD material in scientific publications, please cite our respective articles: +If you make use of the TeachOpenCADD material in scientific publications, please cite our respective articles. It will help measure the impact of the TeachOpenCADD platform and future funding, thank you! -- [TeachOpenCADD Jupyter Notebooks: Talktorials T001-T010](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0351-x) - -- [TeachOpenCADD KNIME workflows](https://pubs.acs.org/doi/10.1021/acs.jcim.9b00662) - -- [How to use the TeachOpenCADD material for teaching?](https://pubs.acs.org/doi/abs/10.1021/bk-2021-1387.ch010) +### TeachOpenCADD Jupyter notebooks + +TeachOpenCADD Jupyter notebooks' main citation: Talktorials T001-T022 ([paper](https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gkac267/6582172)) + +``` +@article{TeachOpenCADD2022, + author = {Sydow, Dominique and Rodríguez-Guerra, Jaime and Kimber, Talia B and Schaller, David and Taylor, Corey J and Chen, Yonghui and Leja, Mareike and Misra, Sakshi and Wichmann, Michele and Ariamajd, Armin and Volkamer, Andrea}, + title = {TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research}, + journal = {Nucleic Acids Research}, + year = {2022}, + doi = {10.1093/nar/gkac267}, +} +``` -It will help measure the impact of the TeachOpenCADD platform and future funding! +TeachOpenCADD Jupyter notebooks' original citation: Talktorials T001-T010 ([paper](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0351-x)) ``` @article{TeachOpenCADD2019, author = {Sydow, Dominique and Morger, Andrea and Driller, Maximilian and Volkamer, Andrea}, title = {{TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data}}, - doi = {10.1186/s13321-019-0351-x}, - url = {https://doi.org/10.1186/s13321-019-0351-x}, - journal = {J. Cheminform.}, + journal = {Journal of Cheminformatics}, + year = {2019}, volume = {11}, number = {1}, pages = {29}, - year = {2019} + doi = {10.1186/s13321-019-0351-x}, } +``` + +TeachOpenCADD Jupyter notebooks on kinase similarities: Talktorials T023-T028 ([paper](https://doi.org/10.33011/livecoms.3.1.1599)) + +``` +@article{TeachOpenCADDKinaseEdition, + author = {Kimber, Talia B and Sydow, Dominique and Volkamer, Andrea}, + title = {{Kinase similarity assessment pipeline for off-target prediction [v1.0]}}, + journal = {Living Journal of Computational Molecular Science}, + year = {2022}, + doi = {10.1186/s13321-019-0351-x}, +} +``` + +### TeachOpenCADD-KNIME + + +TeachOpenCADD KNIME workflows ([paper](https://pubs.acs.org/doi/10.1021/acs.jcim.9b00662)) + +``` @article{TeachOpenCADDKNIME2019, author = {Sydow, Dominique and Wichmann, Michele and Rodríguez-Guerra, Jaime and Goldmann, Daria and Landrum, Gregory and Volkamer, Andrea}, title = {{TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows}}, - doi = {10.1021/acs.jcim.9b00662}, - url = {https://doi.org/10.1021/acs.jcim.9b00662}, journal = {Journal of Chemical Information and Modeling}, + year = {2019}, volume = {59}, number = {10}, pages = {4083-4086}, - year = {2019} + doi = {10.1021/acs.jcim.9b00662}, } +``` +### Teaching + +How to use the TeachOpenCADD material for teaching ([chapter](https://pubs.acs.org/doi/abs/10.1021/bk-2021-1387.ch010)) + +``` @inbook{doi:10.1021/bk-2021-1387.ch010, author = {Sydow, Dominique and Rodríguez-Guerra, Jaime and Volkamer, Andrea}, title = {Teaching Computer-Aided Drug Design Using TeachOpenCADD}, @@ -151,7 +183,6 @@ It will help measure the impact of the TeachOpenCADD platform and future funding chapter = {10}, pages = {135-158}, doi = {10.1021/bk-2021-1387.ch010}, - URL = {https://pubs.acs.org/doi/abs/10.1021/bk-2021-1387.ch010}, } ```