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  • workflow.png

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Title

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1		-Molecular Tools 2: computation of unbinding rates
	1	+Molecular Tools: computation of unbinding rates

Content

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2	2	(((
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5		-= Molecular Tools 2: computation of unbinding rates =
	5	+* (((
	6	+= Molecular Tools: computation of unbinding rates =
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6	6
7	7	Authors:  D. Kokh
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15	15	= What can I find here? =
16	16
17		-* A workflow that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes
	19	+Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes
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	21	+
	22	+(% style="text-align:center" %)
	23	+[[image:workflow.png||alt="tauRAMD_workflow"]]
	24	+
	25	+
19	19	= Who has access? =
20	20
21	21	All EBRAINS users
	29	+
	30	+
	31	+(% class="text-uppercase" %)Jupyter notebooks:
	32	+
	33	+(% class="box" %)
	34	+(((
	35	+**Computation of Protein-Protein Unbinding rates**:  Jupyter Notebooks/PP-kinetics.ipynb
	36	+
	37	+[[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]]
	38	+
	39	+
	40	+**Computation of Protein-Ligand Unbinding rates**:  under development
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	45	+)))
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27	27	{{box title="**Contents**"}}

workflow.png

Author

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	1	+XWiki.dariak

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	1	+97.3 KB

Content