Reaction pathway and free energy profile for prechemical reaction step of human butyrylcholinesterase-catalyzed hydrolysis of (-)-cocaine by combined targeted molecular dynamics and potential of mean force simulations

Xiaoqin Huang, Yongmei Pan, Fang Zheng, Chang Guo Zhan

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

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Biochemistry, Genetics and Molecular Biology