Insight into the halogen bonding between PA-1 ligand and pyruvate dehydrogenase complex E1 component by crystal structure, DFT calculation, and molecular docking | |
He, Junbo; He, Haifeng; Cai, Meng; Zhao, Feng; He, Hongwu | |
刊名 | Journal of Molecular Structure
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2020 | |
卷号 | 1199期号:Volume 1199页码:126991- |
关键词 | 5-Iodo-1,2,3-triazole Halogen bonding PDHc-E1 inhibitor DFT calculation Molecular docking |
ISSN号 | 0022-2860 |
DOI | 10.1016/j.molstruc.2019.126991 |
URL标识 | 查看原文 |
WOS记录号 | EI:20193607395702 |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/5161722 |
专题 | 华中师范大学 |
作者单位 | [He, Junbo] Key Laboratory for Deep Processing of Major Grain and Oil, Ministry of Education, College of Food Science &, Engineering, Wuhan Polytechnic University, Wuhan, 430023, China |
推荐引用方式 GB/T 7714 | He, Junbo,He, Haifeng,Cai, Meng,et al. Insight into the halogen bonding between PA-1 ligand and pyruvate dehydrogenase complex E1 component by crystal structure, DFT calculation, and molecular docking[J]. Journal of Molecular Structure,2020,1199(Volume 1199):126991-. |
APA | He, Junbo,He, Haifeng,Cai, Meng,Zhao, Feng,&He, Hongwu.(2020).Insight into the halogen bonding between PA-1 ligand and pyruvate dehydrogenase complex E1 component by crystal structure, DFT calculation, and molecular docking.Journal of Molecular Structure,1199(Volume 1199),126991-. |
MLA | He, Junbo,et al."Insight into the halogen bonding between PA-1 ligand and pyruvate dehydrogenase complex E1 component by crystal structure, DFT calculation, and molecular docking".Journal of Molecular Structure 1199.Volume 1199(2020):126991-. |
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