Protein complex structure prediction is crucial for understanding of biological activities and advancing drug development. While various experimental methods can provide structural insights into ...

Advances in structural biology have allowed scientists to determine molecular structures with atomic-level detail, sometimes yielding static snapshots that do not reflect the dynamism of proteins.

The development and adoption of artificial intelligence (AI) provides moonshot opportunities to redefine how we generate treatments for neuropsychiatric disease. Despite the rapid advancement of AI ...

For more than a decade, artificial intelligence has been touted as a way to dramatically accelerate drug discovery. Yet ...

A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

Researchers from the Institute of Science and Technology Austria (ISTA) together with international collaborators have now combined several methods to shed light on how proteins ‘breathe’ and how some ...

By tracking aromatic ring movements inside proteins, researchers uncovered details of the molecular flexibility that enables ...

A team of researchers has developed a method that could transform the field of protein engineering. The new approach, called AI-informed Constraints for protein Engineering (AiCE), enables rapid and ...

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 ...