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Complementary in silico modeling and AI can integrate these multi-scale data to predict nanocarrier behavior, identify potential hotspots of accumulation or toxicity, and support safer-by-design optimization (247253)
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However, AcK289 located in an -helix is accessible for SIRT1-catalysed deacetylation whereas AcK157 present in a loop as well as AcK172 located in a -hairpin according to the AlphaFold3 model, but present in flexible VR-2 in the experimental structure, are both not deacetylated 59,60,61
Tumah cautions that more studies on how berberine affects weight loss are needed
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