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 26.1
edited by dariak
on 2021/01/17 10:07
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 unbinding rates
Content
... ... @@ -2,7 +2,7 @@
2 2  (((
3 3  (% class="container" %)
4 4  (((
5 -= Molecular Tools 2: computation of unbinding rates =
5 += Molecular Tools: computation of unbinding rates =
6 6  
7 7  Authors:  D. Kokh
8 8  )))
... ... @@ -14,14 +14,36 @@
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
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"]]
18 18  
22 +
23 +)))
24 +
19 19  = Who has access? =
20 20  
21 21  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
22 22  )))
23 23  
24 24  
43 +
44 +)))
45 +
46 +
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