HADDOCK3 tutorials

In this page you can find links to tutorials on the usage of the new modular HADDOCK3 version. HADDOCK3 has been and is developed under the umbrella of the BioExcel Center of Excellence for Computational Biomolecular Research and in collaboration with the Netherlands e-Science Center.

Note that HADDOCK3 is still in heavy development and as such the software is evolving quickly.

• HADDOCK3 documentation Documentation for HADDOCK3 including installation instructions.

• HADDOCK3 antibody-antigen docking: This tutorial demonstrates the use of HADDOCK3 for predicting the structure of an antibody-antigen complex using information about the hypervariable loops of the antibody and either the entire surface of the antigen or a loose definition of the epitope. It illustrate the modularity of HADDOCK3 by introducing a new workflow not possible under the current HADDOCK2.X versions. As HADDOCK3 only exists as a command line version, this tutorial does require some basic Linux expertise.

• HADDOCK3 antibody-antigen docking for bioexcel 2023 workshop: This tutorial 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. As HADDOCK3 only exists as a command line version, this tutorial does require some basic Linux expertise.