World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
67
Citations
16357
World Ranking
6884
National Ranking
2056

Overview

Chang-Guo Zhan is affiliated with the University of Kentucky in the United States and has contributed extensively to the fields of Medicine and Biochemistry, Genetics, and Molecular Biology. Their research intersects multiple subfields including Molecular Biology, Pharmacology, Organic Chemistry, Cellular and Molecular Neuroscience, and Infectious Diseases.

The scientist's work covers a range of topics, predominantly focusing on computational and molecular approaches within biomedical research. Main topics of their research include:

  • Computational Drug Discovery Methods
  • Neurotransmitter Receptor Influence on Behavior
  • Forensic Toxicology and Drug Analysis
  • Receptor Mechanisms and Signaling
  • Cannabis and Cannabinoid Research
  • SARS-CoV-2 and COVID-19 Research
  • HIV Research and Treatment

Chang-Guo Zhan has published in several scientific venues. The most frequent publication venues are:

  • Scientific Reports
  • The Journal of Physical Chemistry B
  • Proceedings of the National Academy of Sciences
  • Neuropharmacology
  • Journal of Medicinal Chemistry

Frequent collaborators include Fang Zheng, Huimei Wei, Alexander H. Williams, Linyue Shang, and Jing Deng, indicating a collaborative research environment across multiple projects.

Significant recent publications by Chang-Guo Zhan include:

  • "Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs," 2020, Proceedings of the National Academy of Sciences
  • "Rational Redesign of Enzyme via the Combination of Quantum Mechanics/Molecular Mechanics, Molecular Dynamics, and Structural Biology Study," 2021, Journal of the American Chemical Society
  • "Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs," 2020, bioRxiv (Cold Spring Harbor Laboratory)
  • "Replenishing HDL with synthetic HDL has multiple protective effects against sepsis in mice," 2022, Science Signaling
  • "Fast Prediction of Binding Affinities of the SARS-CoV-2 Spike Protein Mutant N501Y (UK Variant) with ACE2 and Miniprotein Drug Candidates," 2021, The Journal of Physical Chemistry B

Best Publications

  • Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies

    Chang-Guo Zhan;Jeffrey A. Nichols;David A. Dixon

  • A novel Hsp90 inhibitor to disrupt Hsp90/Cdc37 complex against pancreatic cancer cells

    Tao Zhang;Adel Hamza;Xianhua Cao;Bing Wang

  • Absolute Hydration Free Energy of the Proton from First-Principles Electronic Structure Calculations

    Chang-Guo Zhan;David A. Dixon

  • The tumor inhibitor and antiangiogenic agent withaferin A targets the intermediate filament protein vimentin.

    Paola Bargagna-Mohan;Adel Hamza;Yang-eon Kim;Yik Khuan Abby Ho

  • Withaferin A targets heat shock protein 90 in pancreatic cancer cells.

    Yanke Yu;Adel Hamza;Tao Zhang;Mancang Gu

  • Hydration of the Fluoride Anion: Structures and Absolute Hydration Free Energy from First-Principles Electronic Structure Calculations

    Chang-Guo Zhan;David A. Dixon

  • Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs.

    Zhe Li;Xin Li;Yi You Huang;Yaoxing Wu

  • Most Efficient Cocaine Hydrolase Designed by Virtual Screening of Transition States

    Fang Zheng;Wenchao Yang;Mei Chuan Ko;Junjun Liu

  • Computational redesign of human butyrylcholinesterase for anticocaine medication.

    Yongmei Pan;Daquan Gao;Wenchao Yang;Hoon Cho

  • Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- Structure

    Chang-Guo Zhan;Fang Zheng;David A. Dixon

  • VOLUME POLARIZATION IN REACTION FIELD THEORY

    Chang-Guo Zhan;John Bentley;Daniel M. Chipman

  • Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase.

    Chang-Guo Zhan;Fang Zheng;Donald W. Landry

  • Fundamental reaction pathway and free energy profile for inhibition of proteasome by Epoxomicin.

    Donghui Wei;Beilei Lei;Mingsheng Tang;Chang-Guo Zhan

  • The Nature and Absolute Hydration Free Energy of the Solvated Electron in Water

    Chang-Guo Zhan;David A. Dixon

  • First-Principles Determination of the Absolute Hydration Free Energy of the Hydroxide Ion†

    Chang-Guo Zhan;David A. Dixon

  • Catalytic mechanism of cytochrome P450 for 5'-hydroxylation of nicotine: fundamental reaction pathways and stereoselectivity.

    Dongmei Li;Xiaoqin Huang;Keli Han;Chang-Guo Zhan

  • Ligand-Based Virtual Screening Approach Using a New Scoring Function

    Adel Hamza;Ning-Ning Wei;Ning-Ning Wei;Chang-Guo Zhan

  • Reaction Pathways and Energy Barriers for Alkaline Hydrolysis of Carboxylic Acid Esters in Water Studied by a Hybrid Supermolecule-Polarizable Continuum Approach

    Chang-Guo Zhan, ,†;and Donald W. Landry;Rick L. Ornstein

  • Cavity size in reaction field theory

    Chang-Guo Zhan;Daniel M. Chipman

  • Modeling the catalysis of anti-cocaine catalytic antibody: competing reaction pathways and free energy barriers.

    Yongmei Pan;Daquan Gao;Chang-Guo Zhan

  • Subnanomolar inhibitor of cytochrome bc1 complex designed by optimizing interaction with conformationally flexible residues.

    Pei-Liang Zhao;Le Wang;Xiao-Lei Zhu;Xiaoqin Huang

Frequent Co-Authors

Guang-Fu Yang
Guang-Fu Yang Central China Normal University
David A. Dixon
David A. Dixon University of Alabama
Hsin-Hsiung Tai
Hsin-Hsiung Tai University of Kentucky
Linda P. Dwoskin
Linda P. Dwoskin University of Kentucky
Jon S. Thorson
Jon S. Thorson University of Kentucky
Peter A. Crooks
Peter A. Crooks University of Arkansas for Medical Sciences
James H. Woods
James H. Woods University of Michigan–Ann Arbor
Ke-Li Han
Ke-Li Han Dalian Institute of Chemical Physics
Vivek M. Rangnekar
Vivek M. Rangnekar University of Kentucky

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