protein-protein docking's dEint: binding energy (Etotal complex - Sum[Etotal components] )

1

We want to know protein-protein docking’s dEint: binding energy (Etotal complex - Sum[Etotal components] ) ,so which services can we use in haddock?

2

It is reported in the header of the PDB files, but I would not trust it. It is still there for historical reasons.

And we have shown there is no correlation between docking scores and binding affinity. See for example:

P.
Kastritis and A.M.J.J. Bonvin Are
scoring functions in protein-protein docking ready to predict interactomes? Clues from a novel binding affinity benchmark. * J.
Proteome Research*, 9 ,
2216-2225 (2010).

So I would rather suggest to use a tool like PRODIGY for this.

https://bianca.science.uu.nl/prodigy/

But if you have a complex and want to know its score and energy components, you can use our refinement interface for this.

https://milou.science.uu.nl/services/HADDOCK2.2/haddockserver-refinement.html

or

https://bianca.science.uu.nl/haddock2.4/submit_file
(select the refinement tab)