Last modified by richtesn on 2022/05/23 22:36
From version 10.1
edited by dariak
on 2020/09/25 09:47
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 +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 +
7 7  Authors: Stefan Richter
8 8  )))
9 9  )))
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14 14  (((
15 15  = What can I find here? =
16 16  
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]]
21 +
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 +
17 17  * (((
18 -Tools and tutorials that describes how to:* simulate protein-protein association  using Brownian Dynamics (BD)  simulations (web server webSDA)
28 +Tools and tutorials that describes how to:
29 +
30 +* simulate protein-protein association  using Brownian Dynamics (BD)  simulations (web server webSDA)
19 19  * analyse the results of a Brownian dynamics simulation for calculating protein-protein association rate constants
20 20  * compute protein electrostatic potential (under development)
21 21  * (((
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22 22  compare the electrostatic potentials surrounding a set of protein  isoforms or specific regions with multipipsa (under development)
23 23  )))
24 24  * (((
25 -identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms
37 +identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development)
26 26  )))
27 27  )))
28 28  
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