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An integrative biophysical and computational workflow uncovers new allosteric sites and modulators of the human A2A adenosine receptor

#Publication#Medicinal chemistry#Compound collections#Screening technologies

We are excited to announce that the research paper titled “An integrative biophysical and computational workflow uncovers new allosteric sites and modulators of the human A2A adenosine receptor” is now available on ACS Chemical Biology.

This study demonstrates the successful application of AS-MS screening using Edelris’ proprietary Keymical Space on a native, full-length GPCR, in combination with a novel computational modeling workflow to identify compounds that can regulate the receptor activity through previously uncharacterized allosteric sites.

This comprehensive research paper is the result of a successful international multi-partner collaboration involving laboratories in France (Edelris, Eurofins Calixar, Université Paris Cité, CNRS & INSERM), the US (University of Florida, Gainesville), Spain (Health Research Institute of Asturias, @CINN & CSIC), Sweden (Uppsala University), and Croatia (Ruđer Bošković Institute).

Edelris thanks all co-researchers, authors, and partners.

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