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Gastroenterology 2010

The ligands were bound to D106 according to the crystal structures using the [intermolecular_interactions] block of GROMACS with a bond length of 0.185 nm, a force constant of 10 5 kJ mol 1 nm 2 and bond type 6

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2 Vitamin B1 Vitamin B1, or thiamine, is an essential nutrient obtained through dietary sources such as whole-grain products, brown rice, meat, vegetables, and fruits ( Thiamine is integral to the biochemistry of the nervous system, serving primarily as a coenzyme in key enzymatic reactions associated with energy metabolism, particularly the conversion of carbohydrates into usable energy ( In the brain, thiamine is phosphorylated at the cellular level to form its active derivative, thiamine pyrophosphate (TPP) ( Figure 3 )