Last modified by giuliadarrigo on 2023/06/26 14:11
From version 13.1
edited by dariak
on 2020/09/22 22:50
Change comment: There is no comment for this version
To version 27.1
edited by dariak
on 2021/01/17 10:08
Change comment: There is no comment for this version

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1 -Molecular Tools 2: computation of unbinding rates
1 +Molecular Tools: computation of unbinding rates
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2 2  (((
3 3  (% class="container" %)
4 4  (((
5 -= Molecular Tools 2: computation of unbinding rates =
5 +* (((
6 += Molecular Tools: computation of unbinding rates =
7 +)))
6 6  
7 7  Authors:  D. Kokh
8 8  )))
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14 14  (((
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
18 18  
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
22 22  )))
23 23  
24 24  
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45 +)))
46 +
47 +
25 25  (% class="col-xs-12 col-sm-4" %)
26 26  (((
27 27  {{box title="**Contents**"}}
workflow.png
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1 +XWiki.dariak
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1 +97.3 KB
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