Wiki source code of Molecular Tools: protein association rates and binding sites

Version 16.1 by richtesn on 2020/12/16 13:09

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8.1	5	= Molecular Tools: protein association rates and binding sites =
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15.1	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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9.1	9	Authors: Stefan Richter
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	17	= What can I find here? =
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16.1	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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11.1	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)
10.1	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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12.1	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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9.1	38	All EBRAINS users
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	44	{{box title="Contents"}}
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