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Biochemical and Biophysical Research Communications|July 15, 2014
HBx affects CUL4-DDB1 function in both positive and negative mannersLiandi Guo, Xiaobo Wang, Laifeng Ren, et al.Plos Computational Biology|July 31, 2012
Modeling of pharmacokinetics of cocaine in human reveals the feasibility for development of enzyme therapies for drugs of abuseFang Zheng, Chang-Guo ZhanJournal of Chemical Theory and Computation|October 16, 2012
Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (-)-CocaineJunjun Liu, Chang-Guo ZhanThe Journal of Physical Chemistry. B|April 16, 2009
First-principles determination of molecular conformations of cyclic adenosine 3',5'-monophosphate in gas phase and aqueous solutionXi Chen, Chang-Guo ZhanThe Journal of Organic Chemistry|November 20, 2004
Reaction pathways and free energy barriers for alkaline hydrolysis of insecticide 2-trimethylammonioethyl methylphosphonofluoridate and related organophosphorus compounds: electrostatic and steric effectsYing Xiong, Chang-Guo ZhanThe Journal of Physical Chemistry. B|February 14, 2006
How can (-)-epigallocatechin gallate from green tea prevent HIV-1 infection? Mechanistic insights from computational modeling and the implication for rational design of anti-HIV-1 entry inhibitorsAdel Hamza, Chang-Guo ZhanBiophysical Journal|August 21, 2007
How dopamine transporter interacts with dopamine: insights from molecular modeling and simulationXiaoqin Huang, Chang-Guo ZhanThe Journal of Physical Chemistry. B|August 27, 2009
Determination of the structure of human phosphodiesterase-2 in a bound state and its binding with inhibitors by molecular modeling, docking, and dynamics simulationAdel Hamza, Chang-Guo ZhanJournal of Computer-Aided Molecular Design|November 9, 2007
Rational design of an enzyme mutant for anti-cocaine therapeuticsFang Zheng, Chang-Guo ZhanOrganic & Biomolecular Chemistry|February 23, 2008
Structure-and-mechanism-based design and discovery of therapeutics for cocaine overdose and addictionFang Zheng, Chang-Guo ZhanPageof 76