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Summary of nine model systems details for molecular dynamics simulations calculations.

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https://figshare.com/articles/dataset/_Summary_of_nine_model_systems_details_for_molecular_dynamics_simulations_calculations_/668265
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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.

*WT_Apo:野生型空载构象;WT_Sub:添加烟酰胺腺嘌呤二核苷酸(Nicotinamide Adenine Dinucleotide, NAD)与乙酰化赖氨酸的野生型样本;WT_Inhi:添加抑制剂的野生型样本;Q167A:谷氨酰胺突变为丙氨酸的空载构象;Q167A_Sub:谷氨酰胺突变为丙氨酸且添加NAD与乙酰化赖氨酸的样本;Q167A_Inhi:谷氨酰胺突变为丙氨酸且添加抑制剂的样本;H187A:组氨酸突变为丙氨酸的空载构象;H187A_Sub:组氨酸突变为丙氨酸且添加NAD与乙酰化赖氨酸的样本;H187A_Inhi:组氨酸突变为丙氨酸且添加抑制剂的样本
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2013-03-20
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