Molecular Tools: protein association rates and binding sites
Molecular Tools: protein association rates and binding sites
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
Authors: Stefan Richter
What can I find here?
Please note, the corresponding usecases as jupyter notebooks will be transferred from Collaboratory 1. So far they can be found here:
https://collab.humanbrainproject.eu/#/collab/1655/nav/362934
The corresponding guidebooks can be found here:
https://collab.humanbrainproject.eu/#/collab/1655/nav/18580
The descriptions of
Tools and tutorials that describes how to:
- simulate protein-protein association using Brownian Dynamics (BD) simulations (web server webSDA)
- analyse the results of a Brownian dynamics simulation for calculating protein-protein association rate constants
- compute protein electrostatic potential (under development)
compare the electrostatic potentials surrounding a set of protein isoforms or specific regions with multipipsa (under development)
identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development)
Who has access?
All EBRAINS users