Molecular simulation of the interaction between imidazole glycerol phosphate dehydrase and nitrogen-containing heterocyclic phosphate inhibitors

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 27, Issue 8, 2011, Pages 1831-1838

  Shen, Tao ^a   Du, Feng Pei ^a   Liu, Ting ^a   Yao, Guang Wei ^a   Wu, Zheng ^a   Fang, Meng Meng ^a   Xu, Xiao Jie ^b   Lu, Hui Zhe ^a  

^a CHINA AGRICULTURAL UNIVERSITY   (China)

^b PEKING UNIVERSITY   (China)

Author keywords

Density functional theory; Frontier orbital; Imidazole glycerol phosphate dehydratase; Inhibitor; Mechanical optimization; Molecular docking

Indexed keywords

EID: 79961000841     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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