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The Journal of Physical Chemistry. B|November 21, 2009
Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesteraseJunjun Liu, Yingkai Zhang, Chang-Guo ZhanBioorganic & Medicinal Chemistry Letters|November 12, 2019
Discovery of potent and selective butyrylcholinesterase inhibitors through the use of pharmacophore-based screeningAlexander Williams, Shuo Zhou, Chang-Guo ZhanACS Chemical Neuroscience|March 2, 2018
Flipped Phenyl Ring Orientations of Dopamine Binding with Human and Drosophila Dopamine Transporters: Remarkable Role of Three Nonconserved ResiduesYaxia Yuan, Jun Zhu, Chang-Guo ZhanJournal of the American Chemical Society|June 26, 2009
Modeling differential binding of alpha4beta2 nicotinic acetylcholine receptor with agonists and antagonistsXiaoqin Huang, Fang Zheng, Chang-Guo ZhanThe Journal of Physical Chemistry. B|December 22, 2011
Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulationXiaoqin Huang, Guangrong Zheng, Chang-Guo ZhanMolecular Biosystems|September 24, 2013
Binding structures and energies of the human neonatal Fc receptor with human Fc and its mutants by molecular modeling and dynamics simulationsXiaoqin Huang, Fang Zheng, Chang-Guo ZhanBiochemistry|October 25, 2012
Why does the G117H mutation considerably improve the activity of human butyrylcholinesterase against sarin? Insights from quantum mechanical/molecular mechanical free energy calculationsYuan Yao, Junjun Liu, Chang-Guo ZhanBiochemistry|September 3, 2013
Fundamental reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of heroinYan Qiao, Keli Han, Chang-Guo ZhanJournal of the American Chemical Society|March 18, 2008
Modeling the catalysis of anti-cocaine catalytic antibody: competing reaction pathways and free energy barriersYongmei Pan, Daquan Gao, Chang-Guo ZhanOrganic & Biomolecular Chemistry|March 5, 2011
Computational design of a thermostable mutant of cocaine esterase via molecular dynamics simulationsXiaoqin Huang, Daquan Gao, Chang-Guo ZhanPageof 76