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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

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J Agric Food Chem 64:71047113 Peris-Daz MD, Guran R, Zitka O, Adam V, Krel A (2020) Metal- and affinity-specific dual labeling of cysteine-rich proteins for identification of metal-binding sites

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Dihexa has been proven to be stable in the blood for over 5 hours (not shown), survived passage through the gut to penetrate the blood brain barrier, and overcomes cognitive deficits in acute and chronic models of dementia (not shown)

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Glutathione is a powerhouse antioxidant molecule that works in every single cell throughout your body

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