Proteins are the end products of the decoding process that starts with the information in cellular DNA. As workhorses of the cell, proteins compose structural and motor elements in the cell, and they ...

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 ...

A new graph neural network framework called AlloPool distills molecular dynamics simulations into minimal, time-resolved ...

Newswise — Biologists and computational scientists at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory recently refined two artificial intelligence (AI) programs originally built ...

A new LMU study shows how proteins function reliably even without a stable 3D structure—and the crucial importance not only of short sequence motifs, but also of chemical characteristics. Many ...

"I want to study proteins."When you think that,what kind of research do you imagine?Measuring the amount of ...

Efforts to unlock the mysteries of proteins, building blocks of life, have earned three scientists the 2024 Nobel Prize in chemistry. The prize goes to David Baker “for computational protein design,” ...

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, ...

This fully updated volume explores a wide array of new and state-of-the-art tools and resources for protein function prediction. Beginning with in-depth overviews of essential underlying computational ...

In genetics, one harmful variant can be enough to cause disease—but two can make it far more severe. One notable example is KJ, an infant diagnosed with a rare urea cycle disorder with a grim ...

A new multimodal deep learning framework called GeoEPred combines protein language model semantics with predicted 3D ...