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2020 – today
- 2023
[j16]Zhe Li
, Chengkun Wu, Yishui Li, Runduo Liu, Kai Lu, Ruibo Wang, Jie Liu, Chunye Gong, Canqun Yang, Xin Wang, Chang-Guo Zhan, Hai-Bin Luo:
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19. Int. J. High Perform. Comput. Appl. 37(1): 45-57 (2023)- [i1]Hongsong Feng, Rui Wang, Chang-Guo Zhan, Guo-Wei Wei:
Multi-objective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network Complex. CoRR abs/2306.07484 (2023)
2010 – 2019
- 2019
- [j15]Shuo Zhou, Ziyuan Zhou, Kai Ding, Yaxia Yuan, Fang Zheng, Chang-Guo Zhan:
In Silico Observation of the Conformational Opening of the Glutathione-Binding Site of Microsomal Prostaglandin E2 Synthase-1. J. Chem. Inf. Model. 59(9): 3839-3845 (2019) - 2014
- [j14]Adel Hamza, Jonathan M. Wagner, Timothy J. Evans, Mykhaylo S. Frasinyuk, Stefan Kwiatkowski, Chang-Guo Zhan, David S. Watt, Konstantin V. Korotkov:
Novel Mycosin Protease MycP1 Inhibitors Identified by Virtual Screening and 4D Fingerprints. J. Chem. Inf. Model. 54(4): 1166-1173 (2014) - [j13]Adel Hamza, Jonathan M. Wagner, Ning-Ning Wei, Stefan Kwiatkowski, Chang-Guo Zhan, David S. Watt, Konstantin V. Korotkov:
Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies. J. Chem. Inf. Model. 54(10): 2834-2845 (2014) - 2013
- [j12]Ge-Fei Hao, Sheng-Gang Yang, Guangfu Yang, Chang-Guo Zhan:
Computational gibberellin-binding channel discovery unraveling the unexpected perception mechanism of hormone signal by gibberellin receptor. J. Comput. Chem. 34(24): 2055-2064 (2013) - 2012
- [j11]Adel Hamza, Ning-Ning Wei, Chang-Guo Zhan:
Ligand-Based Virtual Screening Approach Using a New Scoring Function. J. Chem. Inf. Model. 52(4): 963-974 (2012) - [j10]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 Comput. Biol. 8(7) (2012) - 2010
- [j9]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. J. Comput. Chem. 31(8): 1592-1602 (2010)
2000 – 2009
- 2009
- [j8]Xiao-Lei Zhu, Ge-Fei Hao, Chang-Guo Zhan, Guangfu Yang:
Computational Simulations of the Interactions between Acetyl-Coenzyme-A Carboxylase and Clodinafop: Resistance Mechanism Due to Active and Nonactive Site Mutations. J. Chem. Inf. Model. 49(8): 1936-1943 (2009) - 2008
- [j7]Fang Zheng, Chang-Guo Zhan:
Rational design of an enzyme mutant for anti-cocaine therapeutics. J. Comput. Aided Mol. Des. 22(9): 661-671 (2008) - [j6]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. J. Comput. Chem. 29(8): 1259-1267 (2008) - [j5]Mohamed Diwan M. AbdulHameed, Adel Hamza, Junjun Liu, Xiaoqin Huang, Chang-Guo Zhan:
Human Microsomal Prostaglandin E Synthase-1 (mPGES-1) Binding with Inhibitors and the Quantitative Structure-Activity Correlation. J. Chem. Inf. Model. 48(1): 179-185 (2008) - [j4]Mohamed Diwan M. AbdulHameed, Adel Hamza, Junjun Liu, Chang-Guo Zhan:
Combined 3D-QSAR Modeling and Molecular Docking Study on Indolinone Derivatives as Inhibitors of 3-Phosphoinositide-Dependent Protein Kinase-1. J. Chem. Inf. Model. 48(9): 1760-1772 (2008) - 2005
- [j3]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. J. Comput. Chem. 26(10): 980-986 (2005) - 2004
- [j2]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. J. Chem. Inf. Model. 44(6): 2099-2105 (2004) - 2003
- [j1]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. J. Comput. Chem. 24(3): 368-378 (2003)
Coauthor Index
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