NUVO™ is our integrated physics, chemistry, and synthetic data platform
We are the first to commercialize enhanced sampling to solve protein motion. This lets us predict mechanisms of action, drug binding modes, and absolute binding free energies (ABFEs) many orders of magnitude faster than with other molecular dynamics techniques.
We use generative models to produce proprietary focused libraries of compounds not found in any commercial library, targeted at pockets we discover, maximizing scores from our physics-based predictors, and matching structural and physiochemical constraints.
We use active learning and deep learning to scale the predictive power of our physics-based predictors to score and rank billions of ligands with industry-leading accuracy.