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2	2	(((
3	3	(% class="container" %)
4	4	(((
5		-* (((
6	6	= Molecular Tools: computation of unbinding rates =
7		-)))
8	8
9	9	Authors:  D. Kokh
	8	+
	9	+//This collab is under development//
10	10	)))
11	11	)))
12	12
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16	16	(((
17	17	= What can I find here? =
18	18
19		-Jupyter Lab workflows 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
20	20
21		-
22		-(% style="text-align:center" %)
23		-[[image:workflow.png||alt="tauRAMD_workflow"]]
24		-
25		-
26	26	= Who has access? =
27	27
28	28	All EBRAINS users
29	29
30	30
31		-(% class="text-uppercase" %)Jupyter notebooks:
	26	+(% class="text-uppercase" %)Jupiter notebooks:
32	32
33	33	(% class="box" %)
34	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
	30	+[[https:~~/~~/lab.ebrains.eu/user/dariak/lab/tree/drive/Shared%20with%20groups/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]]
41	41	)))
42	42
43	43

workflow.png

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1		-XWiki.dariak

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1		-97.3 KB

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