Version 19.1 by richtesn on 2021/04/16 21:42
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5 = Molecular Tools: protein association rates and binding sites =
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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
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9 Authors: Stefan Richter
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17 = What can I find here? =
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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]]
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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]]
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25 The descriptions of
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28 Tools and tutorials that describes how to:
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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)
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34 compare the electrostatic potentials surrounding a set of protein  isoforms or specific regions with multipipsa (under development)
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37 identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development)
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41 = Who has access? =
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43 All EBRAINS users
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49 {{box title="**Contents**"}}
50 {{toc/}}
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