Imagine trying to design a key for a lock that is constantly changing its shape. That is the exact challenge we face in ...

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 ...

Researchers from Cleveland Clinic and IBM recently published findings in the Journal of Chemical Theory and Computation that could lay the groundwork for applying quantum computing methods to protein ...

Add Yahoo as a preferred source to see more of our stories on Google. ATP synthase protein Synthesizing new proteins – the building blocks of biological life – is a scientific field of immense ...

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 ...

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 ...

When a protein folds, its string of amino acids wiggles and jiggles through countless conformations before it forms a fully folded, functional protein. This rapid and complex process is hard to ...

Scientists at Lawrence Livermore National Laboratory (LLNL) and collaborators at Advanced Micro Devices (AMD) and Columbia University report they have achieved a milestone in biological computing: ...

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, ...

For decades, scientists assumed that order drives efficiency. Yet in the bustling machinery of mitochondria—the organelles that crank out adenosine triphosphate (ATP), the universal "energy currency" ...