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by cing 2929 days ago
Relay is not doing protein engineering or working on predicting protein structure. They are making models of protein dynamics to assist in drug discovery (often using already determined structures). We both disagree with the parent commenter that it's a waste, and to claim that Murcko and D.E. Shaw are going in "blindly" would be ignoring decades of research on protein dynamics of some of the hardest drug targets out there. The fact remains that there aren't many success stories of using simulations of protein dynamics to accelerate drug discovery. Computational chemistry protocols used routinely in pharma drug discovery typically do not include this type of detail.
1 comments

I know, just an example.

I wouldn't bet against relay right now - historical precendent is irrelevant here. There's an enormous opportunity for application of ML techniques in protein engineering (as an umbrella term...) - I've really been itching to take a crack at it but it's a moonshot...

A well-positioned player with the right people could make a killing in this market right now.

Can you describe just how they would make a killing? I mean, in terms of making a product that sold, and produced drugs of value.
Sure. My rates for consulting start at $500/hr...