Changes for page Molecular Tools: protein association rates and binding sites
Last modified by richtesn on 2022/05/23 22:36
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... ... @@ -2,9 +2,12 @@ 2 2 ((( 3 3 (% class="container" %) 4 4 ((( 5 -= Molecular Tools: protein association rates and binding sites = 5 += Molecular Tools: 6 +protein association rates and binding sites = 6 6 7 -Authors: Stefan Richter 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 9 + 10 +Authors: Neil Bruce, Daria Kokh, Stefan Richter, Rebecca Wade 8 8 ))) 9 9 ))) 10 10 ... ... @@ -14,10 +14,28 @@ 14 14 ((( 15 15 = What can I find here? = 16 16 17 -* Notice how the table of contents on the right 18 -* is automatically updated 19 -* to hold this page's headers 20 +Please note, the corresponding usecases as jupyter notebooks will be transferred from Collaboratory 1. So far they can be found here: 21 +[[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/362934>>https://collab.humanbrainproject.eu/#/collab/1655/nav/362934]] 20 20 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]] 25 + 26 +The descriptions of 27 + 28 +* ((( 29 +Tools and tutorials that describes how to: 30 + 31 +* simulate protein-protein association using Brownian Dynamics (BD) simulations (web server webSDA) 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) 36 +))) 37 +* ((( 38 +identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development) 39 +))) 40 +))) 41 + 21 21 = Who has access? = 22 22 23 23 All EBRAINS users
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