Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study

Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study

The reaction mechanism of creatinine-creatininase binding to form creatine as a final product has been investigated by using a combined ab initio quantum mechanical/molecular mechanical approach and classical molecular dynamics (MD) simulations. In MD simulations, an X-ray crystal structure of the c...

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書目詳細資料
Main Authors:	Vannajan Sanghiran Lee, Kanchanok Kodchakorn, Jitrayut Jitonnom, Piyarat Nimmanpipug, Prachya Kongtawelert, Bhusana Premanode
格式:	雜誌
出版:	2018
主題:	Chemistry Computer Science Pharmacology, Toxicology and Pharmaceutics
在線閱讀:	https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77956870180&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/50657
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Chiang Mai University

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