In the past, HADDOCK has been used to dock proteins embedded into a bilayer or nano disk.
Support for such systems should be properly implemented in HADDOCK3
Desired feature/enhancement
Add support for a number of lipids
Add options to limit the sampling of starting orientations based on the membrane topology (e.g. sampling both sides of the membrane or only one side).
Exclude the lipids from the calculation of the HADDOCK score
Motivation
Extend the capabilities of HADDOCK3 for membrane proteins
In the past, HADDOCK has been used to dock proteins embedded into a bilayer or nano disk.
Support for such systems should be properly implemented in HADDOCK3
Desired feature/enhancement
Add support for a number of lipids
Add options to limit the sampling of starting orientations based on the membrane topology (e.g. sampling both sides of the membrane or only one side).
Exclude the lipids from the calculation of the HADDOCK score
Motivation
Extend the capabilities of HADDOCK3 for membrane proteins