Selected Publications in Sensitivity Analysis

 

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.
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., T. Thacher and H. Rabitz (1998). "Sensitivity Analysis in Biomolecular Modeling." Review of Computational Chemistry 12: 281-326.
Bleil, R. E., C. F. Wong and H. Rabitz (1995). "Sensitivity Analysis of a 2-dimensional Lattice Model of Protein Folding." J. Phys. Chem. 99(10): 3379-3386.
Zhang, H., C. F. Wong, T. Thacher and H. Rabitz (1995). "Parametric Sensitivity Analysis of Avian Pancreatic Polypeptide (APP)." Proteins 23: 218-232.
Reisner, B. A., B. Fitzsimmons, H. Rabitz, T. Thacher, J. R. E. Fisher and C. Wong (1994). "Parametric and Molecular Structural Relationships of Dipeptides." J. Phys. Chem. 98(43): 11204-11212.
Zhu, S.-B. and C. F. Wong (1994). "Sensitivity Analysis of a Polarizable Water Model." J. Phys. Chem. 98(17): 4695-4701.
Wong, C. F., C. Zheng, J. Shen, J. A. McCammon and P. G. Wolynes (1993). "Cytochrome c: a molecular proving ground for computer simulations." J. Phys. Chem. 97(13): 3100-3110.
Zhu, S.-B. and C. F. Wong (1993). "Sensitivity Analysis of Distribution Functions of Liquid Water." J. Chem. Phys. 99(11): 9047-9053.
Zhu, S.-B. and C. F. Wong (1993). "Sensitivity Analysis of Water Thermodynamics." J. Chem. Phys. 98(11): 8892-8899.
Wong, C. F. (1991). "Systematic Sensitivity Analyses in Free Energy Perturbation Calculations." J. Am. Chem. Soc. 113: 3208-3209.
Wong, C. F. and H. Rabitz (1991). "Sensitivity Analysis and Principal Component Analysis in Free Energy Calculations." J. Phys. Chem. 95(24): 9628-9630.