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Studies have explored its potential in models of ulceration, inflammatory bowel disease analogues, and intestinal fistulas

Single-point energies were calculated on the optimized geometries using the B97X-D hybrid functional 87 and the 6-311 + G(2d,p) basis set with ultrafine integration grids for the QM part and the ff14SB, gaff2 and TIP3P force fields for the MM part (protein, substrate and water, respectively) with electrostatic embedding

Those that declined vs enrolled were of similar age, gender, pre-LT mean SIPAT score, median duration of sobriety pre-LT, history of alcohol-associated hepatitis, rehabilitation, alcohol-related legal issues (Table)

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