Version 16.1 by richtesn on 2020/12/16 13:09
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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 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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23 Tools and tutorials that describes how to:
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25 * simulate protein-protein association  using Brownian Dynamics (BD)  simulations (web server webSDA)
26 * analyse the results of a Brownian dynamics simulation for calculating protein-protein association rate constants
27 * compute protein electrostatic potential (under development)
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29 compare the electrostatic potentials surrounding a set of protein  isoforms or specific regions with multipipsa (under development)
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32 identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development)
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36 = Who has access? =
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38 All EBRAINS users
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44 {{box title="**Contents**"}}
45 {{toc/}}
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