Docking of Cytochrome P450 while anchored in Lipid bilayer


#1

Hi all,

I am trying to perform docking of Cytochrome P450 related proteins while proteins are anchored in bilayer. I have never seen any literature performing such type of docking. My HADDOCK server run is giving error and is not accommodating lipids. Is there any way to perform such docking simulation?

Best regards
Mukesh


#2

First rule in molecular modelling:

     **Sense and simplicity!**

So keep things as simple as possible. And thus: Are the lipids any close to the binding site? If not, then remove them. If a few are present, you might try to keep them. But without more info on the error we can’t help you…