Last modified by giuliadarrigo on 2023/06/26 14:11
From version 35.1
edited by giuliadarrigo
on 2023/06/14 09:06
Change comment: There is no comment for this version
To version 31.1
edited by dariak
on 2022/05/23 22:36
Change comment: Update collab owner property to dariak

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1 -XWiki.giuliadarrigo
1 +XWiki.dariak
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2 2  (((
3 3  (% class="container" %)
4 4  (((
5 -(((
5 +* (((
6 6  = Molecular Tools: computation of unbinding rates =
7 7  )))
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
9 +Authors:  D. Kokh
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.
19 +Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes
22 22  
23 23  
24 24  (% style="text-align:center" %)
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34 34  
35 35  (% class="box" %)
36 36  (((
37 -**Computation of Protein-Ligand Unbinding rates**: 
38 -
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>>url: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/user/giuliadarrigo/lab/workspaces/auto-e/tree/drive/Shared%20with%20groups/Molecular%20Tools%3A%20computation%20of%20%20unbinding%20rates%20/Training_1011/Jupyter_Notebooks]]​
40 -
41 -
42 42  **Computation of Protein-Protein Unbinding rates**:  Jupyter Notebooks/PP-kinetics.ipynb
43 43  
44 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]]
45 -)))
46 46  
47 47  
40 +**Computation of Protein-Ligand Unbinding rates**:  under development
41 +)))
48 48  
43 +
49 49  
50 50  )))
51 51