It includes extensive molecular simulations of the target alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that accounts for conformational mobility in free and bound forms. The tentative binding pockets are considered on the protein-protein interface itself and in remote allosteric locations in order to cover the whole spectrum of possible mechanisms of action.

Key features that set our library apart include:

• The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.


• The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.


• With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.


• Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.