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Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Vigneron SF, Ohno S, Braz J, Kim JY, Kweon OS, Webb C, Billesbølle C, Bhardwaj K, Irwin J, Manglik A, Basbaum AI, Ellman JA, Shoichet BK. Vigneron SF, et al. Among authors: kim jy. bioRxiv [Preprint]. 2025 Jan 14:2025.01.09.632033. doi: 10.1101/2025.01.09.632033. bioRxiv. 2025. PMID: 39868130 Free PMC article. Preprint.
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