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Due to the environment and conformation-dependent pK a values of all the weakly ionizable functional groups in the peptide and the SNACs, the enhanced accuracy of a C p HMD model is crucial to meaningfully predict the charges and interactions between semagtlutide, SNAC, and the membrane 32

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The modified GCGR construct had a lower potency than that of the WT but did not significantly affect the binding affinity and cAMP signaling of GCG (Fig

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