All Stories

  1. Investigations of FAK inhibitors: a combination of 3D-QSAR, docking, and molecular dynamics simulations studies

    Article • Journal of Biomolecular Structure and Dynamics, May 2017, Taylor & Francis

    Professor Xiaoyun Zhang, Professor Hong Lin Zhai

  2. Computational study of the effects of cations and anions to the cytotoxicity of diverse ionic liquids by supervised machine learning

    Article • Chemometrics and Intelligent Laboratory Systems, May 2015, Elsevier

    Professor Xiaoyun Zhang

  3. Predicting the ecotoxicity of ionic liquids towards Vibrio fischeri using genetic function approximation and least squares support vector machine

    Article • Journal of Hazardous Materials, February 2015, Elsevier

    Professor Xiaoyun Zhang

  4. Computational studies on the binding mechanism between triazolone inhibitors and Chk1 by molecular docking and molecular dynamics

    Article • Molecular BioSystems, January 2015, Royal Society of Chemistry

    Professor Xiaoyun Zhang

  5. Structural insights into flavones as protein kinase CK2 inhibitors derived from a combined computational study

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Xiaoyun Zhang

  6. Nanoparticles' interference in the evaluation of in vitro toxicity of silver nanoparticles

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Xiaoyun Zhang

  7. Study on the agonists for the human Toll-like receptor-8 by molecular modeling

    Article • Molecular BioSystems, June 2014, Royal Society of Chemistry

    Professor Xiaoyun Zhang

  8. Combined molecular docking, molecular dynamics simulation and quantitative structure–activity relationship study of pyrimido[1,2-c][1,3]benzothiazin-6-imine derivatives as potent anti-HIV drugs

    Article • Journal of Molecular Structure, June 2014, Elsevier

    Professor Xiaoyun Zhang

  9. MLRMPA: An R package of multiple linear regression model population analysis based on a cluster sampling technique for variable selection of high dimensional data

    Article • Chemometrics and Intelligent Laboratory Systems, March 2014, Elsevier

    Professor Xiaoyun Zhang

  10. Study on the antagonists for the orphan G protein-coupled receptor GPR55 by quantitative structure–activity relationship

    Article • Chemometrics and Intelligent Laboratory Systems, February 2014, Elsevier

    Professor Xiaoyun Zhang