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

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Glycans docking

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Best practice guide

HADDOCK2.4 now supports docking of carbohydrates, however it has not been tested properly yet. It is in an experimental intense-development phase. A list of glycan residues supported by HADDOCK can be found here. This page consists of following chapters:



Optimal settings for docking of glycans

Parameter run.cns name default value optimal value
Clustering method clust_meth FCC RMSD
Cutoff for clustering clust_cutoff 0.6 2.5

More about optimal settings for different docking scenarios can be found here.


Any more questions about glycan docking with HADDOCK? Have a look at our HADDOCK bioexcel forum hosted by . There is a very high chance that your problem has already been addressed.