Molecular Tools: computation of unbinding rates
Version 35.1 by giuliadarrigo on 2023/06/14 09:06
Molecular Tools: computation of unbinding rates
This collab contains a set of tools and tutorials for analysing and computing unbinding rates of protein-small molecule and protein-protein complexes.
Authors: D. Kokh, G. D'Arrigo, R. Wade
What can I find here?
Jupyter Lab workflows that help to set up, carry out and analyze dissociation of protein-drug and protein-protein complexes.
Who has access?
All EBRAINS users
Jupyter notebooks:
Computation of Protein-Ligand Unbinding rates:
https://lab.ch.ebrains.eu/hub/user-redirect/lab/tree/drive/Shared%20with%20groups/Molecular%20Tools%3A%20computation%20of%20%20unbinding%20rates%20/Training_1011/Jupyter_Notebooks
Computation of Protein-Protein Unbinding rates: Jupyter Notebooks/PP-kinetics.ipynb