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 ...

Complex protein interactions at synapses are essential for memory formation in our brains, but the mechanisms behind these processes remain poorly understood. Now, researchers from Japan have ...

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 ...

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 ...