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

Last modified by richtesn on 2022/05/23 22:36

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		5	= Molecular Tools:
		6	protein association rates and binding sites =
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		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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		10	Authors: Neil Bruce, Daria Kokh, Stefan Richter, Rebecca Wade
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		18	= What can I find here? =
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		20	The descriptions of
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		22	* (((
		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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