Advances in structural biology have allowed scientists to determine molecular structures with atomic-level detail, sometimes ...

Understanding the structure of proteins is critical for demystifying their functions and developing drugs that target them. To that end, a team of researchers at Brown University has developed a way ...

Protein functions in the cell, such as enzymatic activity, signaling, and transport, are driven by conformational changes between multiple states 1,2,3. To understand biological processes at the ...

Protein glycosylation regulates essential cellular processes such as signaling, adhesion and cell–cell interactions; however, dysregulated glycosylation is associated with diseases such as cancer.

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

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 ...

More than 20% of the workload on the world's 500 fastest supercomputers is spent simulating how atoms and molecules move—with ...

In a study published in PNAS, a research team developed a new reinforcement learning-based enhanced sampling method called Adaptive Collective Variables Generator (Adaptive CVgen), which has been ...

An innovative machine learning approach has been shown to rapidly predict multiple protein configurations. A new paper presents the method that predicts the relative populations of 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 ...