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BioSim M2M: Molecules to Medicine

Objective

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.

Coordinator

BIOSIMULYTICS LIMITED
Net EU contribution
€ 2 499 525,00
Address
NOVAUCD, BELFIELD INNOVATION PARK,UNIVERSITY COLLEGE DUBLIN
D04 V2P1 DUBLIN
Ireland

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Links
Total cost
€ 3 570 750,00