Last modified by giuliadarrigo on 2023/06/26 14:11
From version 29.1
edited by dariak
on 2021/04/16 21:26
Change comment: There is no comment for this version
To version 20.1
edited by dariak
on 2020/10/11 15:29
Change comment: There is no comment for this version

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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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