Recent Research Publications:

• Chen, E.; Laidig, K. E.; Park, Y.; Yates, J. R. III; Lamont, R. L.; Hackett, M. "Searching the Porphyromons Gingivalis Genome with Peptide Fragmentation Mass Spectra." Analyst, 2001,126, 52.
• Laidig, K. E.; Speers, P.; Streitwieser, A. "Complexation of Li+, Na+, and K+ with Water and Ammonia." Coord. Chem. Rev., 2000,197, 125.
• Laidig, K. E.; Gainer, J. L., Dagget, V. "Altering Diffusivity in Biological Solutions through Modification of Solution Structure and Dynamics." J. Am. Chem. Soc., 1998,120, 9394.
• Li, Z; Laidig, K. E.; Daggett, V. "Conformational Search Using a Molecular Dynamics-Minimazaton Procedure: Applications to Clusters of Coulombic Charges, Lennard-Jones Particles, and Waters." J. Comput. Chem., 1998, 19, 60.
• Laidig, K. E.; Daggett, V. "Protein Modeling: Folding<->Unfolding Dynamics" in The Encyclopedia of Computational Chemistry, Schleyer, P. v. R.; Allinger, N. L.; Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner, P. R., Eds.; John Wiley & Sons, Chichester, 1998.
• Levit, M.; Hirshberg, M.; Sharon, R.; Laidig, K. E.; Daggett, V. "Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution." J. Phys. Chem., 1997 101, 5051.
• Laidig, K. E.; Streitwieser, A. "Origins of Relative Acidity: First and Second Row Hydrides." J. Comput. Chem., 1996, 17, 1771.
• Laidig, K. E.; Daggett, V. " Molecular Dynamics Simulations of Apocytochrome b562: The Highly Ordered Limit of the Molten Globule State." Folding & Design, 1996, 1, 335.
• Platts, J. A.; Laidig, K. E. "Proton Transfer in Ionic Hydrogen Bonds." J. Phys. Chem., 1996, 100, 13455.
• Laidig, K. E.; Speers, P.; Streitwieser, A. "Origin of the Depressed Dipole Moment in Unsaturated, Five-membered Heterocycles." Can J. Chem., 1996, 74, 1215.
• Laidig, K. E. "General Expressions for the Spatial Partitioning of Mulitpole Polarizabilities." Can J. Chem., 1996, 74, 1131.
• Laidig, K. E.; Daggett, V. "Testing the Modified Hydration-Shell Hydrogen-Bond Model of Hydrophobic Effects using Molecular Dynamics Simulation." J. Phys. Chem., 1996, 100, 5616.
• Bader, R. F. W.; Streitwieser, A.; Neuhaus, A.; Laidig, K. E.; Speers, P. "Electron Delocalization and the Fermi Hole." J. Am. Chem. Soc. , 1996, 118, 4959.
• Laidig, K. E.; Cameron, L. M. "The Barrier to Rotaion in Thioformamide: Implications for Amide Resonance." J. Am. Chem. Soc., 1996, 118, 1737.
• Platts, J. A.; Laidig, K. E. "A Theoretical Study of the Proton Bound Amomnia Dimer." J. Phys. Chem., 1995, 99, 6487.

Older publications

Computer Packages:

• Kearsley, S. K.; Laidig, K. E. "The NADIR Graphics Platform." QCPE Bulletin, 1994, 14, # 654.
• Laidig, K. E.; Amos, R. D. "ANVIL5: The Cambridge Analytic Derivatives Wavefucntion Analysis Package", issue 5.0 (Cambridge), 1992.
• Amos, R. D.; Alberts, I. L.; Andrews, J. S.; Colwell, S. M.; Handy, N. C.; Jayatilaka, D.; Knowles, P. J.; Kobayashi, R.; Koga, N.; Laidig, K. E.; Maslen, P. E.; Murray, C. W.; Rice, J. E.; Sanz, J.; Simandiras, E. D.; Stone, A. J.; Su, M. D. "CADPAC5: The Cambridge Analytic Derivatives Package", issue 5.0 (Cambridge), 1992.
• Laidig, K. E.; Saunders, M.; Wolfsberg, M. "QUIVER: A Program to Calculate Equilibrium Isotope Effects Using Reduced Isotopic Partition Function Ratios", (Yale University), 1988.