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Merge pull request #120 from volkamerlab/ds-t023-what-is-a-kinase
We will address this PR in the kinase-talkorials branch to avoid too many conflicts (see PR #115 #115).
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<div class="alert alert-block alert-info"> | ||
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<b>Thank you for contributing to TeachOpenCADD!</b> | ||
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</div> | ||
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<div class="alert alert-block alert-info"> | ||
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<b>Set up your PR</b>: Please check out our <a href="https://github.com/volkamerlab/teachopencadd/issues/41">issue</a> on how to set up a PR for new talktorials, including standard checks and TODOs. | ||
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</div> | ||
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# T000 · Talktorial topic title | ||
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Authors: | ||
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- First and last name, year(s) of contribution, lab, institution | ||
- First and last name, year(s) of contribution, lab, institution | ||
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*The examples used in this talktorial template are taken from [__Talktorial T001__](https://github.com/volkamerlab/teachopencadd/blob/master/teachopencadd/talktorials/T001_query_chembl/talktorial.ipynb) and [__Talktorial T002__](https://github.com/volkamerlab/teachopencadd/blob/master/teachopencadd/talktorials/T002_compound_adme/talktorial.ipynb).* | ||
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<div class="alert alert-block alert-info"> | ||
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<b>Cross-referencing talktorials</b>: If you want to cross-reference to existing talktorials in your notebook, please use the following formatting: <b>Talktorial T000</b>. | ||
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</div> | ||
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## Aim of this talktorial | ||
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Add a short summary of this talktorial's content. | ||
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### Contents in *Theory* | ||
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_Add Table of Contents (TOC) for Theory section._ | ||
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* ChEMBL database | ||
* Compound activity measures | ||
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<div class="alert alert-block alert-info"> | ||
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<b>Sync TOC with section titles</b>: These points should refer to the headlines of your <i>Theory</i> section. | ||
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</div> | ||
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### Contents in *Practical* | ||
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_Add Table of Contents (TOC) for Practical section._ | ||
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* Connect to ChEMBL database | ||
* Load and draw molecules | ||
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<div class="alert alert-block alert-info"> | ||
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<b>Sync TOC with section titles</b>: These points should refer to the headlines of your <i>Practical</i> section. | ||
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</div> | ||
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### References | ||
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* Paper | ||
* Tutorial links | ||
* Other useful resources | ||
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*We suggest the following citation style:* | ||
* Keyword describing resource: <i>Journal</i> (year), <b>volume</b>, pages (link to resource) | ||
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*Example:* | ||
* ChEMBL web services: [<i>Nucleic Acids Res.</i> (2015), <b>43</b>, 612-620](https://academic.oup.com/nar/article/43/W1/W612/2467881) |
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teachopencadd/talktorials/T023_what_is_a_kinase/data/README.md
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# Data | ||
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This folder stores input and output data for the Jupyter notebook. | ||
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- `xxx.csv`: Describe data. | ||
- `xxx.sdf`: Describe data. |
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teachopencadd/talktorials/T023_what_is_a_kinase/images/README.md
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# Talktorial title | ||
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## Images | ||
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This folder stores images used in the Jupyter notebook. |
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teachopencadd/talktorials/T023_what_is_a_kinase/talktorial.ipynb
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