Last modified by giuliadarrigo on 2023/06/26 14:11
From version 26.1
edited by dariak
on 2021/01/17 10:07
Change comment: There is no comment for this version
To version 5.1
edited by dariak
on 2020/09/15 17:44
Change comment: There is no comment for this version

Summary

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Title
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1 -Molecular Tools: computation of unbinding rates
1 +Computation of Protein-Ligand unbinding rates
Content
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2 2  (((
3 3  (% class="container" %)
4 4  (((
5 -= Molecular Tools: computation of unbinding rates =
5 += My Collab's Extended Title =
6 6  
7 -Authors:  D. Kokh
7 +My collab's subtitle
8 8  )))
9 9  )))
10 10  
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14 14  (((
15 15  = What can I find here? =
16 16  
17 -* 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"]]
17 +* Notice how the table of contents on the right
18 +* is automatically updated
19 +* to hold this page's headers
21 21  
22 -
23 -)))
24 -
25 25  = Who has access? =
26 26  
27 -All EBRAINS users
28 -
29 -
30 -(% class="text-uppercase" %)Jupyter notebooks:
31 -
32 -(% class="box" %)
33 -(((
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
23 +Describe the audience of this collab.
40 40  )))
41 41  
42 42  
43 -
44 -)))
45 -
46 -
47 47  (% class="col-xs-12 col-sm-4" %)
48 48  (((
49 49  {{box title="**Contents**"}}
workflow.png
Author
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1 -XWiki.dariak
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1 -97.3 KB
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Description
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1 -Ths collab represent a workflows for computation of relative unbinding rates of protein-ligand and protein-protein complexes using tauRAMD (Random Acceleration Moleular Dynamics) approach.
1 +Ths collab represent a workflow for computation of relative unbinding rates of protein-ligand complexes using tauRAMD (Random Acceleration Moleular Dynamics) approach.
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