Bao, X., X. Liu, R. Dou, S. Xu, D. Liu, J. Luo, X. Gong, C. F. Wong and B. Zhou (2023). "How are N-methylcarbamates encapsulated by β-cyclodextrin: insight into the binding mechanism." Physical Chemistry Chemical Physics 25(20): 13923-13932.
Chen, K., R. Ye, X. Liu, C. F. Wong, S. Xu, J. Luo, X. Gong and B. Zhou (2021). "Why 2,6-di-methyl-β-cyclodextrin can encapsulate OH-substituted naphthalenes better than β-cyclodextrin: Binding pose, non-covalent interaction and solvent effect." Computational and Theoretical Chemistry 1206.
Dou, R., K. Chen, G. Chi, J. Luo, C. F. Wong and B. Zhou (2021). "Why heptakis(2,3-di-O-acetyl)-β-cyclodextrin can separate terbutaline enantiomers better than β-cyclodextrin: nonbonding and hydrophobic interactions." Journal of Inclusion Phenomena and Macrocyclic Chemistry 100(3-4): 189-195.
Ye, R., X. Nie, C. F. Wong, X. Gong, Y. A. Wang, T. Heine and B. Zhou (2016). "Variable van der Waals radii derived from a hybrid Gaussian charge distribution model for continuum-solvent electrostatic calculations." Zeitschrift fur Physikalische Chemie 230(5-7): 681-701.
Ye, R., X. Nie, Y. Zhou, C. F. Wong, X. Gong, W. Jiang, W. Tang, Y. A. Wang, T. Heine and B. Zhou (2016). "Exploring host-guest complexation mechanisms by a molecular dynamics/quantum mechanics/continuum solvent model approach." Chemical Physics Letters 648: 170-177.
Shi, J., Q. Lu, M. Zhang, M. Wang, C. F. Wong and J. Liu (2010). "Supplementing the PBSA approach with quantum mechanics to study the binding between CDK2 and N2-substituted O6-cyclohexylmethoxyguanine inhibitors." J. Theor. Comput. Chem. 9: 543-559.
Zhou, B., M. Agarwal and C. F. Wong (2008). "Variable Atomic Radii for Continuum-Solvent Electrostatics Calculation." J Chem Phys 129: 014509.
Wang, M. L., C. F. Wong, J. Liu and P. Zhang (2007). "Efficient quantum mechanical calculation of solvation energies based on density functional theory, numerical atomic orbitals and Poisson-Boltzmann equation." Chemical Physics Letters 442: 464-467.
Wang, M. L. and C. F. Wong (2007). "Rank-ordering protein-ligand binding affinity by a quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area model." Journal of Chemical Physics 126(2): 026101.
Wang, M. L. and C. F. Wong (2006). "Calculation of solvation free energy from quantum mechanical charge density and continuum dielectric theory." Journal of Physical Chemistry A 110(14): 4873-4879.
Sims, P. A., C. F. Wong, D. Vuga, J. A. McCammon and B. M. Sefton (2005). "Relative contributions of desolvation, inter- and intramolecular interactions to binding affinity in protein kinase systems." J Comput Chem 26(7): 668-681.
Sims, P., C. Wong and J. McCammon (2004). "Charge optimization of the interface between protein kinases and their ligands." JOURNAL OF COMPUTATIONAL CHEMISTRY 25(11): 1416-1429.
Sims, P., C. F. Wong and J. A. McCammon (2003). "A Computational Model of Binding Thermodynamics: The Design of CDK2 Inhibitors." J Med Chem 46(15): 3314-3325.
Toendel, K., C. F. Wong and J. A. McCammon (2003). "Computational Analysis of the Interactions between the Angiogenesis Inhibitor PD173074 and Fibroblast Growth Factor Receptor 1." J Theor Comput Chem 2(1): 43-56.
Gidofalvi, G., C. F. Wong and J. A. McCammon (2002). "Entropy Loss of Hydroxyl Groups of Balanol upon Binding to Protein Kinase A." J. Chem. Ed. 79(9): 1122-1126.
Gould, C. and C. F. Wong (2002). "Designing specific protein kinase inhibitors: insights from computer simulations and comparative sequence/structure analysis." Pharmacology and Therapeutics 93(2-3): 169-178.
Wong, C. F., P. H. Hünenberger, P. Akamine, N. Narayana, T. Diller, J. A. McCammon, S. Taylor and N. H. Xuong (2001). "Computational analysis of PKA-balanol interactions." Journal of Medicinal Chemistry 44(10): 1530-1539.