Informace o projektu

From fragments to high affinity binders interfacing integrated structural biology, medicinal chemistry and artificial intelligence (Fragment-Screen)

Fragment-Screen will develop innovative instrumentation, workflows and experimental and computational methodologies for
fragment-based drug discovery (FBDD) enabling access to early phase structure-based drug discovery for all biological targets and for
scientists both in industry and academia. The established workflows will use structural biology insights and associated data to feed
artificial intelligence (AI) methodology to guide medicinal chemistry in drug development. Fragment-Screen brings together
scientists from four ESFRI Landmark research infrastructures (RIs): ESRF (the European synchrotron) and the distributed RIs EUOPENSCREEN ERIC (medicinal chemistry), ELIXIR (data resources for life science) under the coordination of Instruct-ERIC (integrated
structural biology) and seven industry partners in scientific instrumentation and computational and AI sectors including SMEs to
remove crucial bottlenecks in early phase drug discovery. The new instrumentation and workflows will be available at European RIs,
while the new instruments will be commercialised to increase the technological competitiveness of European industry in drug design
and the attractiveness of structural biology RIs for the pharmaceutical and biotech sectors. Fragment-Screen will implement open
science approaches in early drug discovery to maximise the impact of screening campaigns. Generated data will be made accessible
so that iterative cycles applying AI will improve response times for drug discovery. We will create a framework for the objective and
independent evaluation of AI in drug design to identify critical developments in this thriving research field. Methodologies for
rigorous cross-validation will be established through demonstrator and pilot studies and results will be disseminated to the large
scientific communities affiliated to the European RIs and beyond.

Cíle udržitelného rozvoje

Masarykova univerzita se hlásí k cílům udržitelného rozvoje OSN, jejichž záměrem je do roku 2030 zlepšit podmínky a kvalitu života na naší planetě.

Cíl udržitelného rozvoje č.  3 – Zdraví a kvalitní život Cíl udržitelného rozvoje č.  4 – Kvalitní vzdělání Cíl udržitelného rozvoje č.  9 – Průmysl, inovace a infrastruktura Cíl udržitelného rozvoje č.  17 – Partnerství ke splnění cílů

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