Last modified by giuliadarrigo on 2023/06/26 14:11
From version 21.1
edited by dariak
on 2020/10/11 15:30
Change comment: There is no comment for this version
To version 26.1
edited by dariak
on 2021/01/17 10:07
Change comment: There is no comment for this version

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5 5  = Molecular Tools: computation of unbinding rates =
6 6  
7 7  Authors:  D. Kokh
8 -
9 -//This collab is under development//
10 10  )))
11 11  )))
12 12  
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17 17  = What can I find here? =
18 18  
19 19  * Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes
18 +* (((
19 +(% style="text-align:center" %)
20 +[[image:workflow.png||alt="tauRAMD_workflow"]]
20 20  
22 +
23 +)))
24 +
21 21  = Who has access? =
22 22  
23 23  All EBRAINS users
24 24  
25 25  
26 -(% class="text-uppercase" %)Jupiter notebooks:
30 +(% class="text-uppercase" %)Jupyter notebooks:
27 27  
28 28  (% class="box" %)
29 29  (((
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]]
34 +**Computation of Protein-Protein Unbinding rates**:  Jupyter Notebooks/PP-kinetics.ipynb
35 +
36 +[[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]]
37 +
38 +
39 +**Computation of Protein-Ligand Unbinding rates**:  under development
31 31  )))
32 32  
33 33  
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1 +XWiki.dariak
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