Which journals accept molecular docking analysis using Autodock vina

Question

[maria2019]

Hi,

I am very new to the molecular docking world. I have done virtual screening on some drugs for some special receptors suggesting the best drug that can be used as an inhibitor. I have used ZINC15 data based ligands, PDB files from Protein Data Bank as receptors and Autodock vina for docking, pymol and PLIP for analyzing the results.

Along the way, I realized that non of the high impact factor journals published results only based on autodock vina analysis, am I right?

My question is:

1. Is it possible to publish my findings in a good journal (high impact factor)?

2. which journals are interested in molecular docking analysis? ( specially if it is done with only one method - autodock vina)

Answer 1

[Mensur Dlakic]

It is difficult to answer your question other than in general terms, because we have no details about the potential impact of your work. For example, did you model proteins of special interest to human health (cancer, HIV, coronavirus)? I will throw in another caveat - there are exceptions to everything. That said:

1. No. Most high-impact journal require multiple ways of proving the result, and that excludes predictive and non-reproducible experiments as the main source of results. Think about it this way: If you and I did docking independently with the same ligand and receptor molecules, what are the chances that we would get the same docked complex?

2. There are not many journals that are specifically interested only in predictive models, and smart money is that their impact factors will be in low single digits. Look for journals that have theoretical, design, modeling and simulation in their names.