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Full geometry optimizations, relaxed scans and transition structure searches were carried out with Gaussian 16 83 with the ONIOM 84 QM/MM method using the B3LYP hybrid functional 85 and 6-31 G(d) basis set with ultrafine integration grids for the QM part and the ff14SB 78 , gaff2 79 and TIP3P 86 force fields for the MM part (protein, substrate and water, respectively) with electrostatic embedding

While its exact cause remains unclear, genetic predisposition, autoimmune factors, and environmental triggers play significant roles

Instead, gently roll the vial between your palms, or place it in the refrigerator and allow the powder to dissolve slowly over 2030 minutes

Endocrine Diseases and the Liver: An Update