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doi: 10.1016/j.jconrel.2024.01.022 337 ChenHLiTLiuZTangSTongJTaoYet al

The order of calculations: molecular mechanics followed by semi-empirical followed by DFT minimized the chances of the structures being trapped in local minima rather than reaching global minima

Erythrocyte NAD(H) levels started to saturate already with 500-750 mg of niacin and increasing the dose up to 1000 mg had only a slight additional effect on steady-state NAD + in blood cells