Version 35.1 by giuliadarrigo on 2023/06/14 09:06
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6 = Molecular Tools: computation of unbinding rates =
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9 This collab contains a set of tools and tutorials for analysing and computing unbinding rates of protein-small molecule and protein-protein complexes.
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11 Authors:  D. Kokh, G. D'Arrigo, R. Wade
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19 = What can I find here? =
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21 Jupyter Lab workflows that help to set up, carry out and analyze dissociation of protein-drug and protein-protein complexes.
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25 [[image:workflow.png||alt="tauRAMD_workflow"]]
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28 = Who has access? =
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30 All EBRAINS users
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33 (% class="text-uppercase" %)Jupyter notebooks:
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37 **Computation of Protein-Ligand Unbinding rates**: 
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39 [[https:~~/~~/lab.ch.ebrains.eu/hub/user-redirect/lab/tree/drive/Shared%20with%20groups/Molecular%20Tools%3A%20computation%20of%20%20unbinding%20rates%20/Training_1011>>url:https://lab.ch.ebrains.eu/hub/user-redirect/lab/tree/drive/Shared%20with%20groups/Molecular%20Tools%3A%20computation%20of%20%20unbinding%20rates%20/Training_1011]]/[[Jupyter_Notebooks>>https://lab.ch.ebrains.eu/user/giuliadarrigo/lab/workspaces/auto-e/tree/drive/Shared%20with%20groups/Molecular%20Tools%3A%20computation%20of%20%20unbinding%20rates%20/Training_1011/Jupyter_Notebooks]]​
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42 **Computation of Protein-Protein Unbinding rates**:  Jupyter Notebooks/PP-kinetics.ipynb
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44 [[https:~~/~~/lab.ebrains.eu/user/dariak/lab/tree/drive/Shared%20with%20all/Molecular%20Tools:%20computation%20of%20%20unbinding%20rates%20>>https://lab.ebrains.eu/user/dariak/lab/tree/drive/Shared%20with%20groups/Molecular%20Tools:%20computation%20of%20%20unbinding%20rates%20]]
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55 {{box title="**Contents**"}}
56 {{toc/}}
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