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 ...

This review provides an overview of traditional and modern methods for protein structure prediction and their characteristics and introduces the groundbreaking network features of the AlphaFold family ...

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 ...

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, ...