Chang-Guo Zhan

Publication Activity (10 Years)

Years Active: 2003-2023
Publications (10 Years): 3

Top Topics

Frequency Spectrum

Scoring Functions

Chemical Compounds

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Int. J. High Perform. Comput. Appl.

Publications

Hongsong Feng, Rui Wang, Chang-Guo Zhan, Guo-Wei Wei
Multi-objective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network Complex. CoRR (2023)
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) (2023)
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) (2019)
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) (2014)
Adel Hamza, Jonathan M. Wagner, Timothy J. Evans, Mykhaylo S. Frasinyuk, Stefan Kwiatkowski, Chang-Guo Zhan, David S. Watt, Konstantin V. Korotkov
Inhibitors Identified by Virtual Screening and 4D Fingerprints. J. Chem. Inf. Model. 54 (4) (2014)
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) (2013)
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)
Adel Hamza, Ning-Ning Wei, Chang-Guo Zhan
Ligand-Based Virtual Screening Approach Using a New Scoring Function. J. Chem. Inf. Model. 52 (4) (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. J. Comput. Chem. 31 (8) (2010)
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) (2009)
Fang Zheng, Chang-Guo Zhan
Rational design of an enzyme mutant for anti-cocaine therapeutics. J. Comput. Aided Mol. Des. 22 (9) (2008)
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) (2008)
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) (2008)
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) (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. J. Comput. Chem. 26 (10) (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. J. Chem. Inf. Model. 44 (6) (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. J. Comput. Chem. 24 (3) (2003)