Wiki source code of Molecular Tools: protein association rates and binding sites
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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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11.1 | 8 | |
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9.1 | 9 | Authors: Stefan Richter |
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| 17 | = What can I find here? = | ||
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17.1 | 19 | Please note, the corresponding usecases as jupyter notebooks will be transferred from Collaboratory 1. So far they can be found here: |
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16.1 | 20 | [[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/362934>>https://collab.humanbrainproject.eu/#/collab/1655/nav/362934]] |
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17.1 | 22 | The corresponding guidebooks can be found here: |
| 23 | [[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/18580>>https://collab.humanbrainproject.eu/#/collab/1655/nav/18580]] | ||
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| 25 | The descriptions of | ||
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10.1 | 27 | * ((( |
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11.1 | 28 | Tools and tutorials that describes how to: |
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| 30 | * simulate protein-protein association using Brownian Dynamics (BD) simulations (web server webSDA) | ||
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10.1 | 31 | * analyse the results of a Brownian dynamics simulation for calculating protein-protein association rate constants |
| 32 | * compute protein electrostatic potential (under development) | ||
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| 34 | compare the electrostatic potentials surrounding a set of protein isoforms or specific regions with multipipsa (under development) | ||
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12.1 | 37 | identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development) |
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1.1 | 40 | |
| 41 | = Who has access? = | ||
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9.1 | 43 | All EBRAINS users |
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| 49 | {{box title="**Contents**"}} | ||
| 50 | {{toc/}} | ||
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