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Nature Communications | Vol.10, Issue.1 | | Pages
Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs
Allosteric GPCR modulators can achieve exquisite subtype selectivity, but the underlying mechanism is unclear. Using molecular dynamics simulations, the authors here identify a previously undetected dynamic pocket in muscarinic GPCRs that is critical for subtype selectivity of allosteric modulators.
Original Text (This is the original text for your reference.)
Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs
Allosteric GPCR modulators can achieve exquisite subtype selectivity, but the underlying mechanism is unclear. Using molecular dynamics simulations, the authors here identify a previously undetected dynamic pocket in muscarinic GPCRs that is critical for subtype selectivity of allosteric modulators.
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allosteric modulators muscarinic gpcrs dynamic pocket exquisite subtype selectivity molecular dynamics
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Scott A. Hollingsworth,Brendan Kelly,Celine Valant,Jordan Arthur Michaelis,Olivia Mastromihalis,Geoff Thompson,A. J. Venkatakrishnan,Samuel Hertig,Peter J. Scammells,Patrick M. Sexton,Christian C. Felder,Arthur Christopoulos,Ron O. Dror,.Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs. 10 (1),.
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