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

Version 20.2 by richtesn on 2021/06/14 10:56

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20.1	5	= Molecular Tools:
	6	protein association rates and binding sites =
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15.1	8	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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20.2	10	Authors: Neil Bruce, Daria Kokh, Stefan Richter, Rebecca Wade
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	18	= What can I find here? =
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17.1	20	Please note, the corresponding usecases as jupyter notebooks will be transferred from Collaboratory 1. So far they can be found here:
16.1	21	[[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/362934>>https://collab.humanbrainproject.eu/#/collab/1655/nav/362934]]
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17.1	23	The corresponding guidebooks can be found here:
	24	[[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/18580>>https://collab.humanbrainproject.eu/#/collab/1655/nav/18580]]
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	26	The descriptions of
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10.1	28	* (((
11.1	29	Tools and tutorials that describes how to:
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	31	* simulate protein-protein association using Brownian Dynamics (BD) simulations (web server webSDA)
10.1	32	* analyse the results of a Brownian dynamics simulation for calculating protein-protein association rate constants
	33	* compute protein electrostatic potential (under development)
	34	* (((
	35	compare the electrostatic potentials surrounding a set of protein isoforms or specific regions with multipipsa (under development)
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	37	* (((
12.1	38	identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development)
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	42	= Who has access? =
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9.1	44	All EBRAINS users
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	50	{{box title="Contents"}}
	51	{{toc/}}
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