[ricksunny]

[followup] and so frankly, it's hard to imagine a world where drug discovery isn't enormously sped up by an automated protein-folding approach which docking software like Autodock Vina require to be run. I know that not all of the pharma industry agrees with this assertion however...: https://twitter.com/michael_gilman/status/133375535280704307...

My take: Since 0.1% of proteins whose amino acids have been sequenced have ever seen a crystal structure (i.e. the folded model) generated of them. an automated approach to 3D model generation 1) will have enormous implications on drug development, and 2) will most likely come from a new and very different generation of drug developers, who don't have a lot in common with the generation that produced the tweet pasted above.

[natechols]

My take is exactly the opposite: since 3D structures of proteins alone are almost never the bottleneck in drug discovery, this won't actually change anything. Knowing how the drug is going to bind, and knowing how it'll behave in vivo, are not something you can predict from deep sequencing data.