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 43.1
edited by giuliadarrigo
on 2023/06/26 14:05
Change comment: There is no comment for this version

Summary

Details

Page properties
Title
... ... @@ -1,1 +1,1 @@
1 -Molecular Tools 2: computation of unbinding rates
1 +Molecular Tools: computation of dissociation rates
Author
... ... @@ -1,1 +1,1 @@
1 -XWiki.dariak
1 +XWiki.giuliadarrigo
Content
... ... @@ -2,9 +2,13 @@
2 2  (((
3 3  (% class="container" %)
4 4  (((
5 -= Molecular Tools 2: computation of unbinding rates =
5 +(((
6 += Molecular Tools: computation of dissociation rates =
7 +)))
6 6  
7 -Authors:  D. Kokh
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
8 8  )))
9 9  )))
10 10  
... ... @@ -14,14 +14,40 @@
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
21 +Jupyter Lab workflows that help to set up, carry out and analyze dissociation of protein-drug and protein-protein complexes.
18 18  
23 +
24 +(% style="text-align:center" %)
25 +[[image:workflow.png||alt="tauRAMD_workflow"]]
26 +
27 +
19 19  = Who has access? =
20 20  
21 21  All EBRAINS users
31 +
32 +
33 +(% class="text-uppercase" %)Jupyter notebooks:
34 +
35 +(% class="box" %)
36 +(((
37 +**Computation of Protein-Ligand Dissociation rates**: 
38 +
39 +{{jupyterlink}}
40 +https://lab.ch.ebrains.eu/hub/user-redirect/lab/tree/shared/Molecular%20Tools%3A%20computation%20of%20dissociation%20rates%20/Training_220623/Jupyter_Notebooks
41 +{{/jupyterlink}}
42 +
43 +**Computation of Protein-Protein Dissociation rates**:  Jupyter Notebooks/PP-kinetics.ipynb
44 +
45 +{{jupyterlink}}
46 +shared/Molecular Tools: computation of dissociation rates /Archive/PP-kinetics.ipynb
47 +{{/jupyterlink}}
22 22  )))
23 23  
24 24  
51 +
52 +)))
53 +
54 +
25 25  (% class="col-xs-12 col-sm-4" %)
26 26  (((
27 27  {{box title="**Contents**"}}
workflow.png
Author
... ... @@ -1,0 +1,1 @@
1 +XWiki.dariak
Size
... ... @@ -1,0 +1,1 @@
1 +97.3 KB
Content
Collaboratory.Apps.Collab.Code.CollabClass[0]
owner
... ... @@ -1,0 +1,1 @@
1 +dariak
XWiki.XWikiRights[3]
Allow/Deny
... ... @@ -1,1 +1,0 @@
1 -Allow
Levels
... ... @@ -1,1 +1,0 @@
1 -view
Users
... ... @@ -1,1 +1,0 @@
1 -XWiki.XWikiGuest
XWiki.XWikiRights[4]
Allow/Deny
... ... @@ -1,1 +1,0 @@
1 -Allow
Groups
... ... @@ -1,1 +1,0 @@
1 -XWiki.XWikiAllGroup
Levels
... ... @@ -1,1 +1,0 @@
1 -view
XWiki.XWikiRights[5]
Allow/Deny
... ... @@ -1,0 +1,1 @@
1 +Allow
Levels
... ... @@ -1,0 +1,1 @@
1 +view
Users
... ... @@ -1,0 +1,1 @@
1 +XWiki.XWikiGuest
XWiki.XWikiRights[6]
Allow/Deny
... ... @@ -1,0 +1,1 @@
1 +Allow
Groups
... ... @@ -1,0 +1,1 @@
1 +XWiki.XWikiAllGroup
Levels
... ... @@ -1,0 +1,1 @@
1 +view