Alexandre Bonvin bio photo

Computational Structural Biology group focusing on dissecting, understanding and predicting biomolecular interactions at the molecular level.

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HADDOCK best practice guide

HADDOCK is a powerful tool, however we reach its full potential only when we use it wisely. Thus the best practice guide shows how to run HADDOCK in a sensible and rational manner. Which settings are best used in which scenario and which on the other hand are better avoided? This best practice guide will guide you through all possible scenarios with related settings linked with tutorials of the newest HADDOCK version, published articles and protocols from our group.

Before docking

How to prepare structures for HADDOCK?

How to use information about interactions in HADDOCK?

Docking with HADDOCK

Small molecules





Coarse grain

After docking: How to analyse docking results from HADDOCK or refine models?