BioSim M2M: Molecules to Medicine

2026-07-22

BioSimulytics has developed breakthrough technology combining quantum physics, computational chemistry, machine learning, and high-performance computing to boost the success rates of pharmaceutical R&D. The BioSimulytics invention (patent EP3948877A1), is being applied to crystal structure prediction (CSP) for determining the most stable crystal structure or polymorph of a drug compound, as well as the most stable binding poses in protein-ligand complexes. Existing state-of-the-art techniques for polymorph analysis require long and painstaking experimentation by material scientists with uncertain results (<1% success rates). BioSim M2M will reduce the time to find the most stable crystal structures of a molecule from 3 months to 3 weeks and reduce candidate experiments from 400 to 40. As a result, BioSim M2M will contribute to the Pharmaceutical Strategy for Europe by helping to ensure that patients have access to high quality, effective, and safe medicines.

Ireland

2026-01-01