Wiki source code of Molecular Tools: computation of unbinding rates
Version 34.1 by giuliadarrigo on 2023/05/10 09:11
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15.1 | 6 | = Molecular Tools: computation of unbinding rates = |
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33.1 | 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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34.1 | 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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1.1 | 28 | = Who has access? = |
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11.1 | 30 | All EBRAINS users |
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22.1 | 33 | (% class="text-uppercase" %)Jupyter notebooks: |
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34.1 | 37 | **Computation of Protein-Ligand Unbinding rates**: |
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| 39 | [[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>>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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23.1 | 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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