"AlphaFold 3: Revolutionizing Molecular Structure and Interaction Prediction"

Since its launch in 2020, over 2 million researchers have turned to Google DeepMind's AlphaFold 2 to predict protein structures, aiding in breakthroughs like vaccine development and cancer treatments. This model tackled a challenge that had stumped scientists for over half a century. But the team at Google DeepMind didn't stop there; instead of resting on their laurels, they rolled up their sleeves and started working on AlphaFold 3.

Launched in May by Google DeepMind and Isomorphic Labs, AlphaFold 3 takes things up a notch. It doesn't just predict protein folding; it also forecasts the structure and interactions of all sorts of life's molecules, including DNA, RNA, and ligands—those tiny molecules that attach to proteins.

"With AlphaFold 2, we made huge strides in solving the protein folding puzzle, but the scientific community has moved on to more complex stuff," explains Jonas Adler, a research scientist at Google DeepMind. "Researchers are now diving into details like how small molecules bind, or how RNA works, areas where AlphaFold 2 fell short. To keep up with the latest in biology and chemistry, we needed a tool that could handle all kinds of biomolecules."

"Everything" here includes ligands, which are crucial because they make up about half of all drugs. "At Isomorphic Labs, we're seeing the huge potential of AlphaFold 3 for designing drugs rationally, and we're already putting it to use every day," says Adrian Stecula, a research leader at Isomorphic Labs. "We're exploring how new small molecules bind to new drug targets, figuring out how proteins interact with DNA and RNA, and studying how chemical tweaks affect protein structures—the new model opens up all these possibilities."

Incorporating these extra molecule types meant dealing with a ton more combinations. "Proteins are pretty straightforward; there are only 20 standard amino acids," Jonas notes. "But small molecules? They're all over the place, with endless possibilities. They're super diverse."