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LIGATE - Ligand Generator and portable drug discovery platform AT Exascale
Third-party funded project |
Project title |
LIGATE - Ligand Generator and portable drug discovery platform AT Exascale |
Principal Investigator(s) |
Schwede, Torsten
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Project Members |
Studer, Gabriel Alexander, Leila Tauriello, Gerardo Waterhouse, Andrew Durairaj, Janani
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Organisation / Research unit |
Departement Biozentrum / Bioinformatics (Schwede) |
Department |
Departement Biozentrum / Bioinformatics (Schwede) |
Project Website |
https://www.ligateproject.eu/ |
Project start |
01.01.2021 |
Probable end |
31.12.2023 |
Status |
Completed |
Abstract |
LIGATE is an EU funded project that aims to integrate and co-design best in class European components on Computer-Aided Drug Design (CADD) solutions exploiting today high-end supercomputer and tomorrow Exascale resources. 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 CADD, reducing the costs and time for the design and the production of novel drugs. |
Keywords |
Computer-Aided Drug Design |
Financed by |
Commission of the European Union
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Cooperations () |
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ID |
Kreditinhaber |
Kooperationspartner |
Institution |
Laufzeit - von |
Laufzeit - bis |
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4660388 |
Schwede, Torsten |
Andrea Beccari |
Dompé Farmaceutici |
01.01.2022 |
31.12.2024 |
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29/04/2024
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