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DeorphaNN: Virtual screening of GPCR peptide agonists using AlphaFold-predicted active-state complexes and deep learning embeddings.

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Title: DeorphaNN: Virtual screening of GPCR peptide agonists using AlphaFold-predicted active-state complexes and deep learning embeddings.
Authors: Ferguson L; Neurobiology Division, MRC Laboratory of Molecular Biology, Cambridge, UK. Electronic address: lariferg@gmail.com., Ouellet S; Independent Researcher, Ottawa, ON, Canada., Vandewyer E; Department of Biology, KU Leuven, Leuven, Belgium., Wang C; Independent Researcher, Ottawa, ON, Canada., Wunna Z; Neurobiology Division, MRC Laboratory of Molecular Biology, Cambridge, UK., Lim TKY; Department of Pharmacology, University of Cambridge, Cambridge, UK., Schafer WR; Neurobiology Division, MRC Laboratory of Molecular Biology, Cambridge, UK; Department of Biology, KU Leuven, Leuven, Belgium., Beets I; Department of Biology, KU Leuven, Leuven, Belgium.
Source: Molecular cell [Mol Cell] 2026 Jul 23. Date of Electronic Publication: 2026 Jul 23.
Publication Type: Journal Article
Journal Info: Publisher: Cell Press Country of Publication: United States NLM ID: 9802571 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1097-4164 (Electronic) Linking ISSN: 10972765 NLM ISO Abbreviation: Mol Cell Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: DeorphaNN: Virtual screening of GPCR peptide agonists using AlphaFold-predicted active-state complexes and deep learning embeddings.
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  Data: <searchLink fieldCode="AU" term="%22Ferguson+L%22">Ferguson L</searchLink>; Neurobiology Division, MRC Laboratory of Molecular Biology, Cambridge, UK. Electronic address: lariferg@gmail.com.<br /><searchLink fieldCode="AU" term="%22Ouellet+S%22">Ouellet S</searchLink>; Independent Researcher, Ottawa, ON, Canada.<br /><searchLink fieldCode="AU" term="%22Vandewyer+E%22">Vandewyer E</searchLink>; Department of Biology, KU Leuven, Leuven, Belgium.<br /><searchLink fieldCode="AU" term="%22Wang+C%22">Wang C</searchLink>; Independent Researcher, Ottawa, ON, Canada.<br /><searchLink fieldCode="AU" term="%22Wunna+Z%22">Wunna Z</searchLink>; Neurobiology Division, MRC Laboratory of Molecular Biology, Cambridge, UK.<br /><searchLink fieldCode="AU" term="%22Lim+TKY%22">Lim TKY</searchLink>; Department of Pharmacology, University of Cambridge, Cambridge, UK.<br /><searchLink fieldCode="AU" term="%22Schafer+WR%22">Schafer WR</searchLink>; Neurobiology Division, MRC Laboratory of Molecular Biology, Cambridge, UK; Department of Biology, KU Leuven, Leuven, Belgium.<br /><searchLink fieldCode="AU" term="%22Beets+I%22">Beets I</searchLink>; Department of Biology, KU Leuven, Leuven, Belgium.
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  Data: <searchLink fieldCode="JN" term="%229802571%22">Molecular cell</searchLink> [Mol Cell] 2026 Jul 23. <i>Date of Electronic Publication: </i>2026 Jul 23.
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        Value: 10.1016/j.molcel.2026.07.006
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              Text: 2026 Jul 23
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