CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...

Artificial intelligence (AI) is transforming how scientists understand proteins—these are working molecules that drive nearly every process in the human body, from cell growth and immune defense to ...

Molecular dynamics (MD) simulations offer a powerful computational approach to decipher the complex and transient nature of peptide-protein interactions. By calculating the time-dependent behaviour of ...

A major scientific advance in protein modeling developed by Microsoft Research AI for Science, has been published in Science. The study introduces BioEmu, a generative deep learning system that ...

John Jumper (S.M. ’12, Ph.D. ’17) was awarded the Nobel Prize in Chemistry in 2024 for his contributions to the development of AlphaFold, an AI model that revolutionized protein structure prediction.

Researchers have used computational models to understand what drives the accumulation of alpha-synuclein protein, a key culprit in the development of Parkinson’s disease. The study, published today as ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation. The study, published in the ...

Dynamin assembles into a ring around the neck of a forming vesicle and utilizes GTP hydrolysis energy to constrict and sever the membrane. The simulation reveals that the dynamin ring expands (loosens ...

Demis Hassabis (CEO of Deep Mind) and John M. Jumper have useed artificial intelligence to predict the structure of almost all known proteins. David Baker has learned how to master life’s building ...

(Nanowerk News) Hybrid nanostructures between biomolecules and inorganic nanomaterials constitute a largely unexplored field of research, with the potential for novel applications in bioimaging, ...