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 ...

In a recent study published in Molecular Systems Biology, researchers demonstrated that advances in modeling protein-ligand interactions using machine learning-based approaches are needed to exploit ...

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 ...