Spiriti, J. and C. F. Wong (2024). "Quantitative Prediction of Dissociation Rates of PYK2 Ligands Using Umbrella Sampling and Milestoning." Journal of Chemical Theory and Computation 20(9): 4029-4044.
Rathnayake, S., B. Narayan, R. Elber and C. F. Wong (2023). "Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β." Proteins: Structure, Function and Bioinformatics 91(2): 209-217.
Wong, C. F. (2023). "15 Years of molecular simulation of drug-binding kinetics." Expert Opinion on Drug Discovery 18(12): 1333-1348.
Spiriti, J., F. Noé and C. F. Wong (2022). "Simulation of ligand dissociation kinetics from the protein kinase PYK2." Journal of Computational Chemistry 43(28): 1911-1922.
Spiriti, J. and C. F. Wong (2021). "Qualitative prediction of ligand dissociation kinetics from focal adhesion kinase using steered molecular dynamics." Life 11(2): 1-19.
Wong, C. F. (2018). "Steered molecular dynamics simulations for uncovering the molecular mechanisms of drug dissociation and for drug screening: A test on the focal adhesion kinase." Journal of Computational Chemistry 39(19): 1307-1318.
Wong, C. F. (2015). Incorporating Drug-Binding Kinetics in Drug Design. In Silico Drug Discovery and Design: Theory, Methods, Challenges and Applications. C. N. Cavasotto, CRC Press.
Wong, C. F. (2014). "Molecular simulation of drug-binding kinetics." Molecular Simulation 40(10-11): 889-903.
Wong, C. F. and S. Bairy (2013). "Drug design for protein kinases and phosphatases: Flexible-receptor docking, binding affinity and specificity, and drug-binding kinetics." Current Pharmaceutical Design 19(26): 4739-4754.
Huang, Z. and C. F. Wong (2012). "Simulation reveals two major docking pathways between the hexapeptide GDYMNM and the catalytic domain of the insulin receptor protein kinase." Proteins: Structure, Function and Bioinformatics 80(9): 2275-2286.
Bairy, S. and C. F. Wong (2011). "Influence of kinetics of drug binding on EGFR signaling: A comparative study of three EGFR signaling pathway models." Proteins: Structure, Function and Bioinformatics 79(8): 2491-2504.
Goyal, M., M. Rizzo, F. Schumacher and C. F. Wong (2009). "Beyond thermodynamics: drug binding kinetics could influence epidermal growth factor signaling." J Med Chem 52(18): 5582-5585.
Huang, Z. and C. F. Wong (2007). "A mining minima approach to exploring the docking pathways of p-nitrocatechol sulfate to YopH." Biophys J 93(12): 4141-4150.