8000 T024 Kinase similarity: sequence by t-kimber · Pull Request #117 · volkamerlab/teachopencadd · GitHub
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T024 Kinase similarity: sequence #117

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<div class="alert alert-block alert-info">

<b>Thank you for contributing to TeachOpenCADD!</b>

</div>


<div class="alert alert-block alert-info">

<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.

</div>


# T000 · Talktorial topic title

Authors:

- First and last name, year(s) of contribution, lab, institution
- First and last name, year(s) of contribution, lab, institution


*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).*


<div class="alert alert-block alert-info">

<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>.

</div>


## Aim of this talktorial

Add a short summary of this talktorial's content.


### Contents in *Theory*

_Add Table of Contents (TOC) for Theory section._

* ChEMBL database
* Compound activity measures


<div class="alert alert-block alert-info">

<b>Sync TOC with section titles</b>: These points should refer to the headlines of your <i>Theory</i> section.

</div>


### Contents in *Practical*

_Add Table of Contents (TOC) for Practical section._

* Connect to ChEMBL database
* Load and draw molecules


<div class="alert alert-block alert-info">

<b>Sync TOC with section titles</b>: These points should refer to the headlines of your <i>Practical</i> section.

</div>


### References

* Paper
* Tutorial links
* Other useful resources

*We suggest the following citation style:*
* Keyword describing resource: <i>Journal</i> (year), <b>volume</b>, pages (link to resource)

*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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# Data

This folder stores input and output data for the Jupyter notebook.

- `xxx.csv`: Describe data.
- `xxx.sdf`: Describe data.
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,EGFR,ErbB2,BRAF,CDK2,LCK,MET,p38a,KDR,p110a
EGFR,1.0,0.8941176470588236,0.3764705882352941,0.3176470588235294,0.4470588235294118,0.4588235294117647,0.38823529411764707,0.47058823529411764,0.11764705882352941
ErbB2,0.8941176470588236,1.0,0.4,0.32941176470588235,0.4235294117647059,0.47058823529411764,0.4,0.43529411764705883,0.11764705882352941
BRAF,0.3764705882352941,0.4,1.0,0.32941176470588235,0.38823529411764707,0.3764705882352941,0.3764705882352941,0.4,0.15294117647058825
CDK2,0.3176470588235294,0.32941176470588235,0.32941176470588235,1.0,0.3764705882352941,0.36470588235294116,0.47058823529411764,0.3411764705882353,0.10588235294117647
LCK,0.4470588235294118,0.4235294117647059,0.38823529411764707,0.3764705882352941,1.0,0.4,0.38823529411764707,0.43529411764705883,0.1411764705882353
MET,0.4588235294117647,0.47058823529411764,0.3764705882352941,0.36470588235294116,0.4,1.0,0.36470588235294116,0.47058823529411764,0.10588235294117647
p38a,0.38823529411764707,0.4,0.3764705882352941,0.47058823529411764,0.38823529411764707,0.36470588235294116,1.0,0.38823529411764707,0.1411764705882353
KDR,0.47058823529411764,0.43529411764705883,0.4,0.3411764705882353,0.43529411764705883,0.47058823529411764,0.38823529411764707,1.0,0.15294117647058825
p110a,0.11764705882352941,0.11764705882352941,0.15294117647058825,0.10588235294117647,0.1411764705882353,0.10588235294117647,0.1411764705882353,0.15294117647058825,1.0
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# Talktorial title

## Images

This folder stores images used in the Jupyter notebook.
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