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Front Row: Dr. G. Lee Warren, Yang Zhong, Brad Bauer
Back Row: Dave Meninger, Joe Davis, Sandeep Patel
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Current research projects include the following broad areas to which molecular simulation techniques are applied. For detailed descriptions of each area, please use the Research link on the Main Menu to the left.
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1. Polarizable Force Fields for Proteins, Lipids, Nucleic Acids, and Small Molecules
2. Charge Transfer Potentials for Ions
3. Algorithm Development
4. Hydration Free Energy Simulation
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Interfacial Structure and Thermodynamics |
Studies of Interfacial Enhancement and Segregation of Ionic and Molecular Species at Aqueous Liquid-Vapor and Solution-Vapor Interfaces
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1. Studies of Protein-Ligand Docking and Binding Free Energetics
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1.Studies of Thermodynamics and Structure in Strongly Associating Fluids
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1. Ion Permeation Energetics
2. Selectivity Mechanisms
3 Polarizable Force Fields for Lipids and Integral Membrane Proteins
4. Charge Transfer Potentials Applied to Ion Selectivity
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