Educational Background

  • B.Sc. (Hons.), The Chinese University of Hong Kong
  • Ph.D., Houston, USA

Current Research Interests

  • Biomolecular modeling and QSPR.

Selected Publications

  1. L. W. Ng, Y.-K. Cheng, W. S. Aik, and W. Han, “Reposition Pathways of GTP in Orthoflavivirus NS5-methyltransferase Revealed by Enhanced Molecular Dynamics Simulations”, Phys. Chem. Chem. Phys., DOI: 10.1039/d5cp00438a (2025).
  2. J. C. T. Cheung, L. W. Ng, Z. Zhu, B. Chen, S. Li, M. Xu, X. Ding, D. Pu, Y. Hu, Y. Ren, W. Kang, M. Li, J. W. H. Wong, X. Wang, Y. K. Cheng, S. S. M. Ng, N. Wong, and Y. Dong, “Citrate Synthase Novel Variant Rewires TCA Cycle to Promote Colorectal Cancer Progression”, Cancer Research, accepted (2025).
  3. X. Liang, W. Ye, W. Thor, L. Sun, B. Wang, S. He, Y.-K. Cheng, and C.S. Lee, “Construction of Cyclopenta[b]pyran-2-ones via Chemoselective (3+2) Cycloaddition between 2-Pyrones and Vinyl Cyclopropanes”, Org. Chem. Front. 7, 840-845 (2020).
  4. X. Huang, W. Thor, X. Feng, L. Kang, M. Yang, C.-S. Lee, Y.-K. Cheng, and S. He, “(4+3) cycloadditions of allenyl ether-derived oxygen-stabilized oxyallyls with furans”, Org. Chem. Front. 7, 255-260 (2020).
  5. J. Cao, W. Thor, S. Yang, M. Zhang, W. Bao, L. Zhu, W. Yang, Y.-K. Cheng, and C.-S. Lee, “Synthesis of the Tricyclic Picrotoxane Motif by an Oxidative Cascade Cyclization”, Org. Lett. 21, 4896-4899 (2019).
  6. M. Guo, G. Guo, J. Xiao, X. Sheng, X. Zhang, Y. Tie, Y.-K. Cheng, X. Ji, “Ginsenoside Rg3 Stereoisomers Differentially Inhibit Vascular Smooth Muscle Cell Proliferation and Migration in Diabetic Atherosclerosis”, J. Cell. Mol. Med. 22, 3202-3214 (2018).
  7. J. K. C. Lau, X. B. Li and Y. K. Cheng, “A Substrate Selectivity and Inhibitor Design Lesson from the PDE10-cAMP Crystal Structure”, J. Phys. Chem. B, 114, 5154-5160 (2010).
  8. H. B. Luo, C. Zheng and Y. K. Cheng, “Is Phosphatidylcholine-Saturated Alkyl Column a Convenient Replacement for Immobilized-Artificial-Membrane?”, J. Chromatgr. A, 1176, 100-106 (2007).
  9. Y. K. Cheng and P. J. Rossky, “Surface Topography Dependence of Biomolecular Hydrophobic Hydration”, Nature, 392, 696-699 (1998).