Deep learning methods have been used to augment existing energy-based physical models in 'do novo' or from-scratch computational protein design, resulting in a 10-fold increase in success rates ...

BOT or NOT? This special series explores the evolving relationship between humans and machines, examining the ways that robots, artificial intelligence and automation are impacting our work and lives.

Drug discovery happens to be among the most expensive and laborious processes across scientific disciplines. Developing just ...

Designing de novo proteins holds immense potential for achieving superior combinations of novel functions and mechanical properties, thereby advancing biological and engineering applications. However, ...

Since its release in 2024, the open-source platform BindCraft, developed at EPFL, has already disrupted the world of protein design. Physical interactions between proteins influence anything from cell ...

The known protein universe just got a lot bigger. A newly released artificial-intelligence tool has generated an atlas of more than one billion predicted protein structures and billions more protein ...

A new method that successfully designs serine hydrolase enzymes capable of catalyzing ester hydrolysis with high efficiency, demonstrates a computational approach for creating de novo enzymes that ...

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 ...