Rigid Docking in Haddock 2.4

HADDOCK
1

Hi,

Apologies if this has been asked before but is there a protocol for rigid protein-ligand docking in Haddock 2.4?

Thanks

2

Do you mean docking keeping both molecules rigid?

You can in the second submission tab on the server specific the flexibility treatment (semi-flexible segment) and define a molecule as rigid.

Further we have protein-ligand tutorials at:

https://www.bonvinlab.org/education/HADDOCK24/

with two ligand-related tutorials.

3

Thanks for the quick response.

I am only trying to keep one of the ligands restrained but in regards to specifying the flexibility treatment of the molecule, the option to do so isn’t available to me.

Is this due to the access level on my profile, will I need a higher access level to use this option?

Thanks again

4

Request higher level access via your registration page

5

Request has been sent.

Thank you!