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 has developed a way of using machine ...

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 ...

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 ...

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 ...

Researchers from Cleveland Clinic and IBM have recently published findings in the Journal of Chemical Theory and Computation that could lay the groundwork for applying quantum computing methods to ...

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 ...

In a study published in PNAS, a research team led by SHI Xinghua from the National Center for Nanoscience and Technology (NCNST) of the Chinese Academy of Sciences, in collaboration with GAO Huajian's ...

Thought LeaderDr. George HeathUniversity Academic FellowUniversity of Leeds In this interview, AZoNano speaks with Dr. George Heath from the University of Leeds, UK, about the fundamental principles ...