Artificial intelligence (AI) is transforming how scientists understand proteins—these are working molecules that drive nearly every process in the human body, from cell growth and immune defense to ...

On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...

For most proteins, structure is function. The complex three-dimensional shapes that proteins adopt create folds and pockets that can accomplish the remarkably improbable: driving chemical reactions ...

CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...

In the wee hours of an October morning, David Baker, a protein biologist at the University of Washington (UW), received the most-awaited phone call in a scientist’s career. Halfway around the world, ...

David Baker, Demis Hassabis and John M. Jumper shared the Nobel Prize in Chemistry on Wednesday for their work on protein structure. Atila Altuntas / Anadolu via Getty Images On Wednesday morning, ...