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MD simulations were performed using Gromacs version 2023 [27] with the OPLS-AA force field [28]

Catalysis-Based Inhibitors of the Calcium Signaling Function of CD38

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Excretion Pathways Limited data on excretion pathways indicates: Likely renal elimination of peptide degradation products Hepatic metabolism may contribute to peptide processing Amino acid byproducts enter normal metabolic pools No evidence of intact peptide excretion in urine The complex pharmacokinetics of this peptide mixture complicate dose-response relationships and optimal treatment regimen development, contributing to variability in clinical trial outcomes

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