LIGATE, public-private consortium led by Dompé Farmaceutici, aims to integrate and co-design best in class European open-source components together with proprietary (European) IPs (whose development has already been co-funded by previous H2020 projects) to keep worldwide leadership on CADD solutions exploiting today high-end supercomputer and tomorrow Exascale resources, fostering the European competiveness in this field. 

Today digital revolution is having a dramatic impact on the pharmaceutical industry and the entire healthcare system.
The implementation of machine learning, extreme scale computer simulations, and big data analytics in the drug design and development process offer an excellent opportunity to lower the risk of investment and reduce the time to patient.
The availability of powerful computing resources, new numerical models for simulations, and artificial intelligence increase the accuracy and predictability of Computer-Aided Drug Design (CADD), reducing the costs and time for the design and the production of novel drugs. 

The LIGATE solution, in a fully integrated workflow, enables to deliver the result of a drug design campaign with the highest speed along with the highest accuracy; further implementing the auto-tuning the parameters of the solutions to meet the time and resource constraints. This predictability, together with the fully automation of the solution and the availability of the Exascale system, will let run the full in silico drug discovery campaign in less than one day to respond promptly for example to worldwide pandemic crisis.

     

The project plans to make the platform available and open
to support the discovery of a novel treatment to fight virus
infections and multidrug-resistant bacteria.

CONSORTIUM

     

This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 956137. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and Italy, Sweden, Austria, Czech Republic, Switzerland.