2008 |
4 | EE | 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) |
2005 |
3 | EE | 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) |
2004 |
2 | EE | 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) |
2003 |
1 | EE | 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) |