#今日论文推荐#Biologists train AI to generate medicines and vaccines

#今日论文推荐#Biologists train AI to generate medicines and vaccines

Scientists have developed artificial intelligence software that can create proteins that may be useful as vaccines, cancer treatments, or even tools for pulling carbon pollution out of the air.
This research, reported today in the journal Science, was led by the University of Washington School of Medicine and Harvard University. The article is titled "Scaffolding protein functional sites using deep learning."
"The proteins we find in nature are amazing molecules, but designed proteins can do so much more," said senior author David Baker, an HHMI Investigator and professor of biochemistry at UW Medicine. "In this work, we show that machine learning can be used to design proteins with a wide variety of functions."
For decades, scientists have used computers to try to engineer proteins. Some proteins, such as antibodies and synthetic binding proteins, have been adapted into medicines to combat COVID-19. Others, such as enzymes, aid in industrial manufacturing. But a single protein molecule often contains thousands of bonded atoms; even with specialized scientific software, they are difficult to study and engineer.
Inspired by how machine learning algorithms can generate stories or even images from prompts, the team set out to build similar software for designing new proteins. "The idea is the same: neural networks can be trained to see patterns in data. Once trained, you can give it a prompt and see if it can generate an elegant solution. Often the results are compelling—or even beautiful," said lead author Joseph Watson, a postdoctoral scholar at UW Medicine.
The team trained multiple neural networks using information from the Protein Data Bank, which is a public repository of hundreds of thousands of protein structures from across all kingdoms of life. The neural networks that resulted have surprised even the scientists who created them.

论文题目：Scaffolding protein functional sites using deep learning
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