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Moreover, the simulations confirmed that the Cagri P37 had weaker interactions with the ECDs leading to greater uncoupling of the peptide C-terminus from the ECDs (Supplementary Movie 1, Supplementary Tables 4, 5), and parallel increases in the dynamics of the peptide as it engaged with the CTR TM bundle, including F23
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Identification of inhibitors of protein-protein interactions has been a major challenge in drug discovery, yet screening strategies, including high-throughput screening and fragment-based drug design, are able to identify compounds suitable for drug development
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