I need a help regarding the molecular docking of a ligand which contains Ag or Fe as an atom, as I use Autodock vina and Autodock 1.5.7 and it doesn't contain their parameters. If someone knows the solution please can you explain me that.
In autodock you have to change the parameter file and add the metal and its coordinate in parameter .dat file, I've attached below the parameter link for metals.
Molecular docking of ligands containing metal atoms as complexes is very challenging and software like Autodock would not carry out the docking of such Ligands unless you change the parameters. However, you can use Glide (Schrodinger) or MOE to perform docking operations of such ligands. Glide won't give you the complete level of details but it will give you a better understanding of interactions. I used glide to perform docking of ligands containing Pt atom and it worked fine. Hope this will help.