Last modified by richtesn on 2022/05/23 22:36
From version 8.1
edited by dariak
on 2020/09/24 10:00
Change comment: There is no comment for this version
To version 18.1
edited by richtesn
on 2021/04/16 21:42
Change comment: There is no comment for this version

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1 +XWiki.richtesn
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4 4  (((
5 5  = Molecular Tools: protein association rates and binding sites =
6 6  
7 -
7 +This collab contains a set of tools and tutorials for exploring protein binding properties based on their electrostatics and estimation of protein-protein association rates
8 +
9 +Authors: Stefan Richter
8 8  )))
9 9  )))
10 10  
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14 14  (((
15 15  = What can I find here? =
16 16  
17 -* Notice how the table of contents on the right
18 -* is automatically updated
19 -* to hold this page's headers
19 +Please note, the corresponding usecases as jupyter notebooks will be transferred from Collaboratory 1. So far they can be found here: 
20 +[[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/362934>>https://collab.humanbrainproject.eu/#/collab/1655/nav/362934]]
20 20  
22 +The corresponding guidebooks can be found here:
23 +[[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/18580>>https://collab.humanbrainproject.eu/#/collab/1655/nav/18580]]
24 +
25 +The descriptions of
26 +
27 +* (((
28 +Tools and tutorials that describes how to:
29 +
30 +* simulate protein-protein association  using Brownian Dynamics (BD)  simulations (web server webSDA)
31 +* analyse the results of a Brownian dynamics simulation for calculating protein-protein association rate constants
32 +* compute protein electrostatic potential (under development)
33 +* (((
34 +compare the electrostatic potentials surrounding a set of protein  isoforms or specific regions with multipipsa (under development)
35 +)))
36 +* (((
37 +identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development)
38 +)))
39 +)))
40 +
21 21  = Who has access? =
22 22  
23 -Describe the audience of this collab.
43 +All EBRAINS users
24 24  )))
25 25  
26 26  
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