Wiki source code of Molecular Tools: computation of dissociation rates

Version 40.1 by giuliadarrigo on 2023/06/22 13:34

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37.1	6	= Molecular Tools: computation of dissociation 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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38.1	37	Computation of Protein-Ligand Dissociation rates:
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36.1	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/Jupyter_Notebooks>>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]]
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38.1	41	Computation of Protein-Protein Dissociation rates: Jupyter Notebooks/PP-kinetics.ipynb
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	43	[[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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	54	{{box title="Contents"}}
	55	{{toc/}}
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