Last modified by giuliadarrigo on 2023/06/26 14:11
From version 43.1
edited by giuliadarrigo
on 2023/06/26 14:05
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To version 11.1
edited by dariak
on 2020/09/21 22:25
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1 -Molecular Tools: computation of dissociation rates
1 +Molecular Tools 2: computation of unbinding rates
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1 -XWiki.giuliadarrigo
1 +XWiki.dariak
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2 2  (((
3 3  (% class="container" %)
4 4  (((
5 -(((
6 -= Molecular Tools: computation of dissociation rates =
7 -)))
5 += Molecular Tools 2: computation of unbinding rates =
8 8  
9 -This collab contains a set of tools and tutorials for analysing and computing unbinding rates of protein-small molecule and protein-protein complexes.
10 -
11 -Authors:  D. Kokh, G. D'Arrigo, R. Wade
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12 12  )))
13 13  )))
14 14  
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18 18  (((
19 19  = What can I find here? =
20 20  
21 -Jupyter Lab workflows that help to set up, carry out and analyze dissociation of protein-drug and protein-protein complexes.
17 +* Notice how the table of contents on the right
18 +* is automatically updated
19 +* to hold this page's headers
22 22  
23 -
24 -(% style="text-align:center" %)
25 -[[image:workflow.png||alt="tauRAMD_workflow"]]
26 -
27 -
28 28  = Who has access? =
29 29  
30 30  All EBRAINS users
31 -
32 -
33 -(% class="text-uppercase" %)Jupyter notebooks:
34 -
35 -(% class="box" %)
36 -(((
37 -**Computation of Protein-Ligand Dissociation rates**: 
38 -
39 -{{jupyterlink}}
40 -https://lab.ch.ebrains.eu/hub/user-redirect/lab/tree/shared/Molecular%20Tools%3A%20computation%20of%20dissociation%20rates%20/Training_220623/Jupyter_Notebooks
41 -{{/jupyterlink}}
42 -
43 -**Computation of Protein-Protein Dissociation rates**:  Jupyter Notebooks/PP-kinetics.ipynb
44 -
45 -{{jupyterlink}}
46 -shared/Molecular Tools: computation of dissociation rates /Archive/PP-kinetics.ipynb
47 -{{/jupyterlink}}
48 48  )))
49 49  
50 50  
51 -
52 -)))
53 -
54 -
55 55  (% class="col-xs-12 col-sm-4" %)
56 56  (((
57 57  {{box title="**Contents**"}}
workflow.png
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