Molecular mechanisms of metal ions in regulating the catalytic efficiency of D-psicose 3-epimerase revealed by multiple short molecular dynamic simulations and free energy predictions-Reference-Cited by-同舟云学术

Molecular mechanisms of metal ions in regulating the catalytic efficiency of D-psicose 3-epimerase revealed by multiple short molecular dynamic simulations and free energy predictions

Published:2020-03-23 Issue:5 Volume:39 Page:1887-1897
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Li Congcong¹,Wang Jing²,Li Yi³,Chen Bo²,Tao Jin³,Wang Xiaoyan²,Yang Hengzheng¹,Liu Yingrui¹,Tong Yi³²,Han Weiwei¹

Affiliation:

1. Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, School of Life Science, Jilin University, Changchun, China

2. Nutrition & Health Research Institute, COFCO Corporation, Beijing, China

3. National Engineering Research Center for Corn Deep Processing, Jilin COFCO Biochemistry Co. Ltd, Changchun, Jilin, China

Funder

Natural Science Foundation of Jilin Province

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1737232

Reference12 articles.

1. Characterization of the AXH domain of Ataxin-1 using enhanced sampling and functional mode analysis

2. The Langevin Limit of the Nosé-Hoover-Langevin Thermostat

3. Understanding the Phosphorylation Mechanism by Using Quantum Chemical Calculations and Molecular Dynamics Simulations

4. Inhibition of α-amylase Activity by Zn2+: Insights from Spectroscopy and Molecular Dynamics Simulations

5. Exploration of Catalytic Selectivity for Aminotransferase (BtrR) Based on Multiple Molecular Dynamics Simulations

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