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Circadian rhythm is a biological cycle that is involved in all processes over 24 h day and night period. Sirtuin 1 (SIRT1) is a 747 amino acid-long class III Nicotinamide adenine dinucleotide (NAD+)-dependent histone that acts as a circadian deacetylase. Here we present a detailed in-silico analysis to address comparative structure-function relationship and interaction pattern of SIRT1-NAD+/Zn+2 and SIRT1NAD+/Zn+2-acetylated histone H4 (H4KAC16) complexes. MD-based ensemble analysis suggested an overall loss of helical content (21.144-1
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