Version 32.1 by giuliadarrigo on 2022/09/17 10:27
Hide last authors
dariak 1.1 1 (% class="jumbotron" %)
2 (((
3 (% class="container" %)
4 (((
giuliadarrigo 32.1 5 (((
dariak 15.1 6 = Molecular Tools: computation of unbinding rates =
dariak 27.1 7 )))
dariak 1.1 8
giuliadarrigo 32.1 9 This collab contains a set of tools and tutorials for computing unbinding rates of protein-small molecule and protein-protein complexes.
10
11 Authors:  D. Kokh, G. D'Arrigo, R. Wade
dariak 1.1 12 )))
13 )))
14
15 (% class="row" %)
16 (((
17 (% class="col-xs-12 col-sm-8" %)
18 (((
19 = What can I find here? =
20
dariak 27.1 21 Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes
22
23
dariak 26.1 24 (% style="text-align:center" %)
25 [[image:workflow.png||alt="tauRAMD_workflow"]]
dariak 1.1 26
dariak 26.1 27
dariak 1.1 28 = Who has access? =
29
dariak 11.1 30 All EBRAINS users
dariak 20.1 31
32
dariak 22.1 33 (% class="text-uppercase" %)Jupyter notebooks:
dariak 20.1 34
35 (% class="box" %)
36 (((
dariak 23.1 37 **Computation of Protein-Protein Unbinding rates**:  Jupyter Notebooks/PP-kinetics.ipynb
38
39 [[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]]
40
41
42 **Computation of Protein-Ligand Unbinding rates**:  under development
dariak 1.1 43 )))
44
45
dariak 20.1 46
47 )))
48
49
dariak 1.1 50 (% class="col-xs-12 col-sm-4" %)
51 (((
52 {{box title="**Contents**"}}
53 {{toc/}}
54 {{/box}}
55
56
57 )))
58 )))