ADL: PDB preparation best practices for Vina?
mlists at ligand.eu
Wed Dec 16 17:09:46 PST 2020
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
> 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.
More information about the autodock