Summary of nine model systems details for molecular dynamics simulations calculations.
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*WT_Apo: Wild type Apo-form, WT_Sub: wild type in presence of NAD and acetylated lysine; WT_Inhi: wild type in presence of inhibitor; Q167A: Glutamine mutate to Alanine Apo-form, Q167A_Sub: Glutamine mutate to Alanine in presence of NAD and acetylated lysine; Q167A_Inhi: Glutamine mutate to Alanine in presence of inhibitor; H187A: Histidine mutate to Alanine Apo-form, H187A_Sub: Histidine mutate to Alanine in presence of NAD and acetylated lysine; H187A_Inhi: Histidine mutate to Alanine in presence of inhibitor.
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2015-12-02
