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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 7
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Research Article

Exploring the interactional details between aldose reductase (AKR1B1) and 3-Mercapto-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid through molecular dynamics simulations

Jiu-Yu ZhanInternational Joint Research Laboratory of Nano-Micro Architecture Chemistry, Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun130023, People’s Republic of China
,
Ke MaDepartment of Pediatric Outpatient, The First Hospital of Jilin University, Changchun130021, People’s Republic of China
,
Qing-Chuan ZhengKey Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun130023, People’s Republic of China;International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun130023, People’s Republic of ChinaCorrespondence[email protected]
,
Guang-Hui YangJilin Provincial Institute of Education, Changchun130022, People’s Republic of China
&
Hong-Xing ZhangInternational Joint Research Laboratory of Nano-Micro Architecture Chemistry, Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun130023, People’s Republic of China
Pages 1724-1735 | Received 31 Dec 2017, Accepted 09 Apr 2018, Published online: 30 May 2018

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