The most accurate technique in computational drug discovery is protein-ligand binding prediction (https://blogs.sciencemag.org/pipeline/archives/2015/02/23/is_f

The most accurate technique in computational drug discovery is protein-ligand binding prediction (https://blogs.sciencemag.org/pipeline/archives/2015/02/23/is_fep_ready_for_the_world https://blogs.sciencemag.org/pipeline/archives/2015/02/23/is...). Given the protein structure, you can predict which molecules will bind with it, even for molecules which have never been sythesized. Many protein targets have not been amenable to this because we don't know what the potential binding pockets look like. That set of proteins will now drastically shrink. We're going to have a lot of new drug candidates, and with any luck new drugs, come out of this.