Docking of Ligand in a membrane protein

Hi,

So I am working on a membrane protein and I want to understand how a particular ligand binds to the binding pocket. So, I want to first do a random search to find the residues which are interacting with the ligand.
In the web-server, for the final refinement step, I would like to use DMSO as the solvent. In that case, what should I keep the value for Eelec?

Also what would be the recommended number of models that I should generate initially?

I would be grateful for the help.

Thank you

Don’t change the dielectric.

And if using the 2.4 server make sure to then to include the solvent for the final refinement.

I would increase the sampling to 10000/400/400 - as explained on our protein-ligand tutorial:

https://www.bonvinlab.org/education/HADDOCK24/HADDOCK24-binding-sites/