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Molecular Tools: computation of  unbinding rates

Version 30.1 by dariak on 2022/03/22 18:07

  • Molecular Tools: computation of  unbinding rates

Authors:  D. Kokh

What can I find here?

Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes

tauRAMD_workflow

Who has access?

All EBRAINS users

Jupyter notebooks:

Computation of Protein-Protein Unbinding rates:  Jupyter Notebooks/PP-kinetics.ipynb

https://lab.ebrains.eu/user/dariak/lab/tree/drive/Shared%20with%20all/Molecular%20Tools:%20computation%20of%20%20unbinding%20rates%20

Computation of Protein-Ligand Unbinding rates:  under development

 

Contents