Whitepapers

Design novel drug molecules for a target protein using our AI-driven de novo design approach. We combines AI-accelerated screening and physics-based modeling to identify high-potential candidates efficiently.

Screen a curated library of compounds, including FDA-approved drugs, investigational drugs, and PubChem/ChEMBL compounds, against a target protein of interest to identify potential binders.

Predict the impact of molecular modifications on binding affinity with FEP, computing binding free energy differences to inform lead optimization and selection.

Optimize hit molecules into leads with our MedKush platform, using targeted transformations to enhance properties and fast-track discovery.