尿素和二甲基亚砜诱导DhaA变性的分子动力学模拟
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郑禾 1( ),杨盛江 2,郑永超 1,崔燕 1,郭旋 1,钟近艺 1( ),周健 2( )
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Molecular dynamics simulation of denaturation of DhaA induced by urea and dimethyl sulfoxide
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He ZHENG 1( ),Shengjiang YANG 2,Yongchao ZHENG 1,Yan CUI 1,Xuan GUO 1,Jinyi ZHONG 1( ),Jian ZHOU 2( )
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图8. DhaA在模拟体系中催化位点的结构变化(蓝色为纯水体系中的DhaA,红色为尿素体系中的DhaA,橙色为DMSO体系中的DhaA)
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Fig.8. Structural change of catalytic sites of DhaA in different simulation systems(blue part represents DhaA in water, red part represents DhaA in urea solution, orange part represents DhaA in DMSO solution)
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