Chun Wu

Rowan University

    • 5401 Citations
    • 28 h-Index

    Research output per year

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    Personal profile

    Research interests

    Research Expertise:
    Computer-aided Drug Design | Molecular Dynamics Simulation | Molecular Modeling

    The long-term goal of my research program is to gain mechanic insights into the structure, dynamics and function of pharmacologically important biomolecules. The insights enable rational drug design using a hierarchical virtual screening protocol including docking, molecular dynamics simulation, and free energy perturbation methods. My current research aims to: 1) develop novel cancer drugs that target DNA/RNA-quadruples, transporter (ABCB1) and kinase (MLK); 2) develop novel analgesic and anti-drug-addiction agents that target G-protein coupled receptors (GPCR) (Dopamine, TAAR1, Opioid) membrane receptors; 3) develop novel anti-virus drugs against herpes virus entry (gD); 4) develop diabetes drug that simultaneously targets inflammation (PPAR).

    Honors and Awards:
    2010, Travel Award, the IBBI (Isolated Biomolecules and Biomolecular Interactions) conference, Berlin, Germany

    2004, Named to the Dean’s list in recognition of Scholastic Excellence, University of Delaware

    1999, Excellent Thesis, Xiamen University

    Member of:
    American Chemical Society (

    Education/Academic qualification

    University of Delaware

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    Research Output

    • 5401 Citations
    • 28 h-Index
    • 58 Article
    • 1 Comment/debate
    • 1 Review article

    Analysis of vismodegib resistance in D473G and W535L mutants of SMO receptor and design of novel drug derivatives using molecular dynamics simulations

    Liao, S., Floyd, C., Verratti, N., Leung, L. & Wu, C., Mar 1 2020, In : Life Sciences. 244, 117302.

    Rowan University

    Research output: Contribution to journalArticle

  • 3D-QSAR, molecular docking, and dynamics simulation of quinazoline-phosphoramidate mustard conjugates as EGFR inhibitor

    Ruslin, R., Amelia, R., Yamin, Y., Megantara, S., Wu, C. & Arba, M., Jan 1 2019, In : Journal of Applied Pharmaceutical Science. 9, 1, p. 89-97 9 p.

    Rowan University

    Research output: Contribution to journalArticle

    Open Access
  • 3 Scopus citations

    Binding of BRACO19 to a telomeric G-quadruplex DNA probed by all-atom molecular dynamics simulations with explicit solvent

    Machireddy, B., Sullivan, H. J. & Wu, C., Jan 1 2019, In : Molecules. 24, 6, 1010.

    Rowan University

    Research output: Contribution to journalArticle

    Open Access
  • 2 Scopus citations

    Dopamine D4 Receptor-Selective Compounds Reveal Structure-Activity Relationships that Engender Agonist Efficacy

    Keck, T. M., Free, R. B., Day, M. M., Brown, S. L., Maddaluna, M. S., Fountain, G., Cooper, C., Fallon, B., Holmes, M., Stang, C. T., Burkhardt, R., Bonifazi, A., Ellenberger, M. P., Newman, A. H., Sibley, D. R., Wu, C. & Boateng, C. A., Apr 11 2019, In : Journal of medicinal chemistry. 62, 7, p. 3722-3740 19 p.

    Rowan University

    Research output: Contribution to journalArticle

    Open Access
  • 4 Scopus citations

    Press / Media

    Small molecule may be behind onset of Alzheimer's

    Luca Larini & Chun Wu


    1 item of Media coverage

    Rutgers, The State University, Rowan University

    Press/Media: Press / Media