STUDENT ABSTRACTS
July 21 – 23, 2002
Matthew Benard, Department of Chemistry, St. Lawrence University, “Molecular Dynamics Simulation of Quartz Interactions with Uranyl Ions and Bulk Water.” Abstract…
David J. Bernhardson, Department of Chemistry, Gustavus Adolphus College, “Computational Study of Resveratrol.” Abstract…
Donnie Berkholz, Department of Chemistry, Gustavus Adolphus College, “Conformations of 5-Hydroxytryptamine (Serotonin) in Solution.” Abstract…
Pat Cassolato, Department of Chemistry and Centre for Biotechnology, Brock University, “Structure of Human a-Tocopherol Transfer Protein.” Abstract…
Luis E. Cordova, Department of Electrical Engineering, University of South Carolina, “Search for Minimum Molecular Programmable Units.” Abstract…
Kristopher Francis Enwright, Department of Chemistry, St. Lawrence University, “Computer Simulation of Montmorillonite Clay with Tetrahedral Charge. 2. Interlayer Uranyl Ion.” Abstract…
Amber Gillis, Becky Shepherd, Department of Chemistry, Hamilton College, “Energetics of the Hydrogen Atom Abstraction by Diradicals.” Abstract…
JunChan Hong, Department of Chemistry, Hamilton College, “Conformational Analysis and Docking Studies on Phosphatase Cdc25B Inhibitors.” Abstract…
Christy House, Meghan Dunn, Department of Chemistry, Hamilton College, “pKa Calculations on Amino Acids.” Abstract…
Julia A. James, Department of Chemistry, Hobart and William Smith Colleges, “A Systematic Comparison of Novel HIV Protease Inhibitors.” Abstract…
David N. Kelland, Department of Chemistry, Hamilton College, “Substituent Effects on Hydrogen Atom Abstraction by Diradicals.” Abstract…
Maruf Khan, Department of Chemistry, Colgate University, “A Density Functional Theory Study of the Oxidation of Bromide by Peroxometal Complexes.” Abstract…
Stefan Larass, Department of Chemistry, Brock University, “Histogram Filtering Approach to Efficient Generation of Low-Energy Conformations of a Model Protein.” Abstract…
Katrina Lexa, Department of Chemistry, Hamilton College, “Conformational Analysis of the alpha-fetoprotein Active Site.” Abstract…
Matthew D. Liptak, Department of Chemistry, Hamilton College, “Absolute pKa Determinations for Protonated Nitrogen Compounds.” Abstract…
Abby Markeson, Department of Chemistry, Hamilton College, “Investigating the Stereoselectivity of Radical Additions.” Abstract…
Brent S. Matteson, Department of Chemistry, Hamilton College, “Conformational Analysis for Absolute pKa Determinations of Amino Acids.” Abstract…
Conor McCutcheon, Department of Chemistry, Vassar College, “Computational Analysis of a Potential Amide Mimic (Dimethylaminomethylene)malononitrile.” Abstract…
Allan D. G. Olley, Department of Physics, Brock University, “The investigation of statistical error and bias in pure diffusion quantum Monte Carlo simulations of Be.” Abstract…
Jennifer Pratt, Department of Chemistry, Hobart and William Smith Colleges, “Conformational Analysis of Potent HIV-Protease Inhibitors.” Abstract…
Navin Rajagopalan, Department of Chemistry, Vassar College, “Proton Conduction in Nafion Perfluorosulfonate Membranes: Quasi-chemical Theory and Molecular Dynamics.” Abstract…
Chantelle Rein, Department of Chemistry, Hamilton College, “The Enediyne Anticancer Antibiotics: A Study of the Bergman Cyclization Barriers of Esperamicin A1 using the ONIOM Hybrid Method.” Abstract…
Emelyn Smith, Department of Chemistry, Hobart and William Smith Colleges, “Conformational Searches of PAML 681, Tris (10-methyl)-PAML-681, Tris (10-nor)-PAML 681, and a Tris (10-nor)-PAML 681 Homologue to Determine the Dependence of O to N Acyl Migrations on Conformational Flexibility in Polyazamacrolides.” Abstract…
Hannah R. StellaLevinsohn, Department of Chemistry, St. Lawrence University, “Computer Simulation of Montmorillonite Clay with Tetrahedral Charge. 1. Interlayer Sodium Ion.” Abstract…
Sarah Taylor, Department of Chemistry, Hamilton College, “Computational Approaches to Anti-cancer Drug Design.” Abstract…
Sarah Tighe, Department of Chemistry, Vassar College, “Study of Intramolecular Hydrogen Bonding Patterns of a Potential Amide Mimic.” Abstract…
Marian R. Zlomislic, Department of Chemistry, Brock University, “Monte Carlo Simulations of Model Antibody Loops – Conformational Distributions for Assembbled versus Isolated CDR Loops.” Abstract…