I would like to submit an article concerning the docking results between ligands and receptors using autodock vina. Which parameters should I show in the manuscript?
First of all, mention the protocol of preparing the receptor and the ligand. Secondly, for better elaboration and to aid the reproducibility of results, you must at least mention the following:
Grid Dimensions for Targeted Docking Area of Receptor
You may refer to any of my papers. I usually report binding affinity, along with Ki. Also, a graphical depiction of docked complexes by highlighting the interacting residues between receptor and ligand helps in understanding the results better.
Thank you very much for sharing your paper, it is a great help.
I have a big problem with the visualization of the residues involved in the interaction for the best score (the lowest binding energy).
How did you extract the out file containing only the best score and combine it with the protein in order to get the pdb file that will be used in Ligplot?