Evolution has been fine-tuning life at the molecular level for billions of years. Proteins, the fundamental building blocks of life, have evolved through this process to perform various biological ...

What’s more, even when a protein structure was available, for many years computational models that predict how proteins bind small molecules, or ligands, were not particularly accurate.

The chemistry of amino acid side chains is critical to protein structure because these side ... and the pattern of deflected X rays is used to predict the positions of the thousands of atoms ...

For more than 50 years, researchers have attempted to predict and design various protein structures in an ... But you can ...

increasing prediction quality, and being scalable across various hardware setups. AlphaFold and the AlphaFold Protein Structure Database have transformed access to protein structure predictions ...

Biology has yet to tap into the full benefits of computer simulations, but a new AI foundation model developed by a team of scientists including CMU's Eric Xing hopes to change that.

David Baker, Demis Hassabis, and John Jumper share this year’s Chemistry award for their research on protein design and structure prediction. Sneha Khedkar is an Assistant Editor at The Scientist. She ...

The integration of Artificial Intelligence (AI) into the medical field marks a groundbreaking shift, with expectations that ...

Large language models may unlock a new and valuable type of research.

In biology, the binding of cellular proteins to molecules called ligands produces myriad functions essential for life, ...

Two clinical research projects have been launched to start the new collaboration. One of the projects, led by Jehi in ...

Since natural luciferases don’t bind to synthetic luciferin well, they used machine learning to predict how well 4,000 other ... hold onto a synthetic luciferin. With a structure that could bind to a ...