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 ...

Enzymes called proteases act like molecular scissors for proteins in the body and play a role in therapies to stop viruses ...

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 ...

The 2024 Nobel Prize in chemistry recognized Demis Hassabis, John Jumper and David Baker for using machine learning to tackle one of biology's biggest challenges: predicting the 3D shape of proteins ...

Their overview highlights innovative methods based on B-factor analysis, ancestral sequence reconstruction (ASR), and machine learning (ML), providing tools to design enzymes that withstand high ...

Scientists have used deep learning to design new proteins that bind to complexes involving other small molecules like hormones or drugs, opening up a world of possibilities in the computational design ...

Proteins are life's molecular workhorses, doing everything from turning sunlight into food to fighting viruses. They are built from 20 different types of amino acid molecules, so even a small protein ...

The 2024 Nobel Prize in chemistry recognized Demis Hassabis, John Jumper and David Baker for using machine learning to tackle one of biology’s biggest challenges: predicting the 3D shape of proteins ...