DeepCure

DeepCure's proprietary PocketExpander technology uses AI and physics-based methods, including quantum mechanical and molecular dynamics simulations, to identify physical and chemical features on protein surfaces that can interact with small molecules — enabling it to pursue targets with no known ligand and design molecular glues. Its MolGen molecular generation tool uses deep reinforcement learning to build readily synthesizable compound libraries meeting ADME-Tox and target candidate profile requirements. DiscoveryHub, its collaboration platform, lets structural biologists, computational chemists, AI engineers, medicinal chemists and biologists share data across the design-make-test-analyze cycle.