Can we perform docking the structure of two ligands? For example can we dock the structure of ZnO with the structure of any compounds of plant using Gaussian software? If we can do how to perform docking? orelse which software can we use for docking two ligands?
What do you mean by "dock"? Do you want to replace the oxygen with ligands? Then take a structure file of ZnO, increase the lattice constant until you think your ligand could fit in and then copy-paste it from a molecular calculation result structure file.
Relaxing the structure using a low-level calculation method before you proceed to your final level is recommendable as always.
This, of course doesn't "dock" two ligands, so what do you mean by that?
Abisha Meji Milon I don't think you can use gaussian for docking studies.
Try autodock vina.
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