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.