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• Small Molecules: Hit identification

• Small Molecules: Hit-to-Lead optimization

• Small Molecules: physicochemical properties

• Small Molecules: ADME

• Small Molecules: Toxicity

• Small Molecules: Selectivity

• Antibodies: Humanization and Optimization

• Protein Modeling. Discovery

• Protein Modeling: HERG binding

• Protein Modeling: Albumin binding

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Quantum Pharmaceuticals applies quantum and statistical physic methods in solving various problems arising in drug hit identification, hit-to-lead optimization, de novo antibody design, and other stages of drug discovery. We are proud to be one of the first companies aimed to perform preclinical studies by employing solely computational modeling.

The key feature of our technology is the ability to calculate intermolecular interactions with the accuracy compared with the accuracy of in vitro experiments. Our technology employs original efficient algorithms for calculating electrostatic, Van der Waals energies, and entropy. Our scientists created fast implicit water for solvation energy calculation. Our scientific approach is rooted in the complexity analysis of quantum systems.

After processing numerous data Quantum Pharmaceuticals has discovered numeric relationships between IC50s of small molecules and its broad biological effects like ADME/TOX parameters, side effects, etc. It confirmed the premise that biological activity results from the capacity of small molecules to modulate the activity of the proteome.

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