Dear Bonvin lab and community
I am currently looking at the effects of histone citrullination on histone-TLR interactions. I plan to use ab initio docking to model flexible histone N-terminal peptides with and without citrulline, docked with TLR2.
However, I noticed that citrulline (PDB code CIR) is currently not supported by HADDOCK according to the library: HADDOCK Web Server - Settings
Just wondering, is there any way to get around this? Is there a manual way of doing it? Thought I would give it and try and ask:)
Any advice is appreciated.
-Aggie