Chang-Guo Zhan

Fang Zheng, Chang-Guo Zhan: Modeling of Pharmacokinetics of Cocaine in Human Reveals the Feasibility for Development of Enzyme Therapies for Drugs of Abuse. PLoS Computational Biology 8(7) (2012)

Ying Xiong, Junjun Liu, Guangfu Yang, Chang-Guo Zhan: Computational determination of fundamental pathway and activation barriers for acetohydroxyacid synthase-catalyzed condensation reactions of alpha-keto acids. Journal of Computational Chemistry 31(8): 1592-1602 (2010)

Ying Xiong, Hai-Ting Lu, Chang-Guo Zhan: Dynamic structures of phosphodiesterase-5 active site by combined molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical calculations. Journal of Computational Chemistry 29(8): 1259-1267 (2008)

Chang-Guo Zhan, Shi-Xian Deng, Jaime G. Skiba, Beth A. Hayes, Sarah M. Tschampel, George C. Shields, Donald W. Landry: First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine. Journal of Computational Chemistry 26(10): 980-986 (2005)

Jian Wan, Li Zhang, Guangfu Yang, Chang-Guo Zhan: Quantitative Structure-Activity Relationship for Cyclic Imide Derivatives of Protoporphyrinogen Oxidase Inhibitors: A Study of Quantum Chemical Descriptors from Density Functional Theory. Journal of Chemical Information and Modeling 44(6): 2099-2105 (2004)

Jaroslav Koca, Chang-Guo Zhan, Robert C. Rittenhouse, Rick L. Ornstein: Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics. Journal of Computational Chemistry 24(3): 368-378 (2003)