> Are we in a situation now where, if I have a bad anti-botic resistant infection I can just order these molecules on the off chance that they will help me? Ve

> Are we in a situation now where, if I have a bad anti-botic resistant infection I can just order these molecules on the off chance that they will help me? Very far from it. I wrote a docking program myself (the most popular one, currently, I believe), and I get emails of this nature sometimes. Molecular docking only makes predictions about binding. Typically, this gives you what people call an "enrichment", i.e. your guesses are better than random, hopefully much more so. Still, most of these guesses are typically wrong. For example, you might go from 1 in 1000 odds to 1 in 10. When you do find a drug-like molecule that binds your chosen protein, this is only the beginning of the drug development effort that may end up costing billions.