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Paper

Reaction pathways and free energy profiles for cholinesterase-catalyzed hydrolysis of 6-monoacetylmorphine

Yan Qiao,ab   Keli Han*a and   Chang-Guo Zhan*b  
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a
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Zhongshan Road 457, Dalian 116023, P. R. China
b
Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, USA
E-mail: zhan@uky.edu;
Fax: +1 859-323-3575 ;
Tel: +1 859-323-3943
Org. Biomol. Chem., 2014,12, 2214-2227

DOI: 10.1039/C3OB42464B
Received 10 Dec 2013, Accepted 14 Feb 2014
First published online 04 Mar 2014
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