Project description
An integrated platform for computer-aided drug design
The 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-patent and time-to-patient. The EU-funded LIGATE initiative aims to integrate available computer-aided drug design solutions, exploiting today’s high-end supercomputers and tomorrow’s exascale resources. The generated workflow will help overcome existing bottlenecks and support the discovery of novel treatments against ongoing threats such as viruses and multidrug-resistant bacteria. Faster drug development will enable the pharmaceutical field to respond promptly to worldwide health crises, such as the COVID-19 pandemic.
Fields of science
- medical and health sciencesbasic medicinepharmacology and pharmacydrug discovery
- medical and health sciencesbasic medicinemedicinal chemistry
- engineering and technologyelectrical engineering, electronic engineering, information engineeringelectronic engineeringdigital electronics
- engineering and technologyelectrical engineering, electronic engineering, information engineeringelectronic engineeringcomputer hardwaresupercomputers
- natural sciencesmathematicsapplied mathematicsmathematical model
Programme(s)
Funding Scheme
EuroHPC-IA - EuroHPC-IA
Coordinator
20122 Milano
Italy
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Participants (10)
20133 Milano
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40033 Casalecchio Di Reno Bo
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100 44 Stockholm
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84084 Fisciano Sa
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6020 Innsbruck
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42019 Scandiano
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The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.
6901 Lugano
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The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.
1120 Wien
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The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.
708 00 Ostrava Poruba
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4051 Basel
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