CCL: AlphaFold 3 vs AutoDock Vina
- From: "Oleg Trott" <trott*caa.columbia.edu>
- Subject: CCL: AlphaFold 3 vs AutoDock Vina
- Date: Mon, 24 Jun 2024 14:48:29 -0400
Sent to CCL by: "Oleg Trott" [trott-$-caa.columbia.edu]
Hello, everyone!
DeepMind's new AlphaFold 3 attempts to predict protein-ligand binding, and
their publication compares it to AutoDock Vina (which I built). But their
methodology seems strange.
I wrote up my comments in a blog post. If you have an interest in AI and/or
docking, I hope you'll find it insightful.
https://olegtrott.substack.com/p/are-alphafolds-new-results-a-miracle