A new artificial intelligence software designs protein-based medicines, vaccines, and industrial enzymes.
Computational biologist Jue Wang was already striving to develop an artificial intelligence to churn out candidate medicines when he had to rush his 2-year-old son to the hospital with a potentially lethal respiratory infection.
“It’s the perfect use of AI,” says Yang Zhang, a protein designer at the University of Michigan, Ann Arbor, who was not involved with the work. Though researchers have used computers and other means to design novel proteins for decades, AI approaches such as this are likely to increase the successes, Zhang says.
The problem is the approach only worked when Rosetta identified an adequate scaffold. “You had to hope there was a good match,” Baker says. Not anymore. Wang, Baker, and colleagues have now adapted their AI-driven RoseTTAfold to dream up its own proteins from scratch using two different strategies. The first, called inpainting, starts like the previous effort, giving the AI a starting point, such as an active site or another key feature of a desired protein.
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