酶催化过程的全程模拟
赵媛,曹泽星
Global Simulations of Enzymatic Catalysis
Yuan ZHAO,Ze-Xing CAO
图5
(a)催化过程自由能变化全景图
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；(b) IAG-NH催化肌苷水解机制
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；(c)产物传递过程具有代表性态的关键残基及构象变化
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Fig 5
(a) Free energy profile of the whole enzymatic catalysis
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; (b) hydrolytic mechanism of inosine catalyzed by IAG-NH
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; (c) key residues and their conformational changes at the representative states for the product release
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