SCIENCE

Dynamic structure-based drug discovery

NUVO™ is our integrated physics, chemistry, and synthetic data platform

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Physics
NUVO™ Matisse

Proprietary physics + AI to generate massive and refined structural data of drug targets

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.

Chemistry
NUVO™ Picasso

Our proprietary structure data informs generative AI + multi-parameter optimization to create new drug-like molecules

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.

Synthetic Data
NUVO™ Cézanne

ML leverages our dynamic drug + target interaction data to drive drug discovery and development

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.