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Quantum Mechanics/Molecular Mechanics Simulations Distinguish Insulin-Regulated Aminopeptidase Substrate (Oxytocin) and Inhibitor (Angiotensin IV) and Reveal Determinants of Activity and Inhibition.
Journal of chemical information and modeling, 65(12), 6261-6272
Citation
Hanževački, Marko; Twidale, Rebecca M; Lang, Eric J M; Gerrard, Will; Wright, David W; Stojevic, Vid; Mulholland, Adrian J. (2025). Quantum Mechanics/Molecular Mechanics Simulations Distinguish Insulin-Regulated Aminopeptidase Substrate (Oxytocin) and Inhibitor (Angiotensin IV) and Reveal Determinants of Activity and Inhibition.. Journal of chemical information and modeling, 65(12), 6261-6272. https://doi.org/10.1021/acs.jcim.5c00869