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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

Adverse Effects: The most common adverse effects of Thiamine, Pyridoxine, and Cyanocobalamin Injection include local pain and swelling at the injection site, as well as gastrointestinal disturbances such as nausea, vomiting, and diarrhea

Stenzl, A

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