Scientists from Cleveland Clinic and Cornell University have designed a publicly-available software and web database to break down barriers to identifying key protein-protein interactions to treat ...

The world of AI-powered drug discovery keeps expanding as the capabilities of machine learning grow. One approach that seemed unthinkable just a few years ago is simulating the complicated interplays ...

Scientists have designed a publicly-available software and web database to break down barriers to identifying key protein-protein interactions to treat with medication. The computational tool is ...

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 ...

QSimulate team in blue shirts stand outside on green grass to pose for a photo. The QSimulate team (shown here) is making programs that model the quantum behavior of molecules. Credit: QSimulate ...