ADL: PDB preparation best practices for Vina?

Mark Pohl at
Thu Dec 17 11:58:38 PST 2020

Oleg Trott, the graduate student who wrote VINA, made a nice (albeit somewhat dated) video: same page provides a link to his test files, so you can follow along with his lecture. 
Hope this helps!
Mark Pohl, Esq.
Pharmaceutical Patent Attorneys, LLC   

    On Wednesday, December 16, 2020, 8:12:39 PM EST, Francois Berenger <mlists at> wrote:  

I think chimera has a nice docking tutorial:

Maybe there is the same thing for Vina somewhere.


On 15/12/2020 20:13, Rick Sheridan wrote:
> Hello -
> Does anyone know of a preferred go-to reference checklist for preparing 
> a
> protein from the PDB for docking in Vina?  For example it might include
> steps like 'remove any ligands the model is already in complex with' or
> 'determine if any solvent molecules are part of the protein's 
> structure' or
> managing polar vs non-polar hydrogens.
> Best,
> Rick
> --

--- ADL: AutoDock List  --- ---

More information about the autodock mailing list