We have released a Jyputer notebook running on Colab resources that demonstrates the use of HADDOCK3 for predicting the structure of an antibody-antigen complex using information about the hypervariable loops of the antibody and a loose definition of the epitope determined through NMR experiments.
To access and launch the notebook visit https://github.com/haddocking/haddock3/tree/main/notebooks
Or launch it directly on Colab here!
Note that that a command line version of this tutorial is also available from our education pages at: https://www.bonvinlab.org/education/HADDOCK3/
And a similar tutorial using instead our HADDOCK2.4 webserver is available from: https://www.bonvinlab.org/education/HADDOCK24/HADDOCK24-antibody-antigen-basic/