Last modified by giuliadarrigo on 2023/06/26 14:11
From version 23.1
edited by dariak
on 2021/01/17 10:03
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To version 1.1
edited by dariak
on 2020/09/15 17:44
Change comment: Collab created through API

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
8 -
9 -//This collab is under development//
7 +My collab's subtitle
10 10  )))
11 11  )))
12 12  
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16 16  (((
17 17  = What can I find here? =
18 18  
19 -* Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes
17 +* Notice how the table of contents on the right
18 +* is automatically updated
19 +* to hold this page's headers
20 20  
21 21  = Who has access? =
22 22  
23 -All EBRAINS users
24 -
25 -
26 -(% class="text-uppercase" %)Jupyter notebooks:
27 -
28 -(% class="box" %)
29 -(((
30 -**Computation of Protein-Protein Unbinding rates**:  Jupyter Notebooks/PP-kinetics.ipynb
31 -
32 -[[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]]
33 -
34 -
35 -**Computation of Protein-Ligand Unbinding rates**:  under development
23 +Describe the audience of this collab.
36 36  )))
37 37  
38 38  
39 -
40 -)))
41 -
42 -
43 43  (% class="col-xs-12 col-sm-4" %)
44 44  (((
45 45  {{box title="**Contents**"}}
Collaboratory.Apps.Collab.Code.CollabClass[0]
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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