Dear Haddock users,
I am trying to dock a metalloprotein with a post-translational modification (PTM) to a sequence of DNA, however no experimental evidence exists for the protein-DNA complex as for the atomic/residue interactions that take place.
I essentially want to dock the metalloprotein with PTM and DNA together to perform MD simulations on them, how can I dock these together without defining active/passive residues as I dont know which are active/passive.
Thank you in advance!
Regards
Dan.