Wiki source code of Molecular Tools: computation of unbinding rates
Show last authors
author | version | line-number | content |
---|---|---|---|
1 | (% class="jumbotron" %) | ||
2 | ((( | ||
3 | (% class="container" %) | ||
4 | ((( | ||
5 | * ((( | ||
6 | = Molecular Tools: computation of unbinding rates = | ||
7 | ))) | ||
8 | |||
9 | Authors: D. Kokh | ||
10 | ))) | ||
11 | ))) | ||
12 | |||
13 | (% class="row" %) | ||
14 | ((( | ||
15 | (% class="col-xs-12 col-sm-8" %) | ||
16 | ((( | ||
17 | = What can I find here? = | ||
18 | |||
19 | Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes | ||
20 | |||
21 | |||
22 | (% style="text-align:center" %) | ||
23 | [[image:workflow.png||alt="tauRAMD_workflow"]] | ||
24 | |||
25 | |||
26 | = Who has access? = | ||
27 | |||
28 | 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 | ||
41 | ))) | ||
42 | |||
43 | |||
44 | |||
45 | ))) | ||
46 | |||
47 | |||
48 | (% class="col-xs-12 col-sm-4" %) | ||
49 | ((( | ||
50 | {{box title="**Contents**"}} | ||
51 | {{toc/}} | ||
52 | {{/box}} | ||
53 | |||
54 | |||
55 | ))) | ||
56 | ))) |