This repository holds the input files and data described in the HADDOCK3 paper (reference soon).
Four workflows are present, corresponding to the four use case presented in the article:
- Targeting multiple interfaces:
antibody-patches-example/ - Protein-glycan docking: introducing a clustering step after rigid-
body docking:
protein-glycan-example/ - Consensus scoring:
consensus-scoring-example/ - Analysis of complexes and detection of hot spots:
complex-analysis/