How Does (E)-2-(Acetamidomethylene)succinate Bind to Its Hydrolase? From the Binding Process to the Final Result

Open Access

Peer-reviewed

Research Article

Ji-Long Zhang,

Affiliations State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin, People's Republic of China, Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun, Jilin, People's Republic of China
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Qing-Chuan Zheng,

Affiliation State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin, People's Republic of China
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Zheng-Qiang Li,

Affiliation Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun, Jilin, People's Republic of China
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Hong-Xing Zhang

* E-mail: zhanghx@mail.jlu.edu.cn

Affiliation State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin, People's Republic of China
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Hydrolases
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Free energy
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Hydrogen bonding
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Amide bonds
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Molecular dynamics
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Amides
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Oxygen
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Pyridoxine
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