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Molecular
Research Groups
Materials Science
Two-dimensional and Layered Materials for Renewable Energy Technologies
Membrane Proteins and Enzymes
Anesthetic Receptors
Voltage-Gated Ion Channels
Influenza Virus Proton Channel
Metalloenzymes
Membranes and Biomaterials
Membrane Fusion
Carbon Nanospheres and Lipid Membranes
SciDac Project: Advanced Modeling of Ions in Solutions, on Surfaces and in Biological Environments
Methods and Algorithms
Coarse Grain Models
Collective Variables Module
Contributed LAMMPS Packages
Contributed VMD Plugins
Contributed HOOMD Modules
Past projects
CDK-9 Inhibitors
Two-component systems
The Enzymatic Mechanism of the Protein Farnesylatransferase
Redox Reaction in Superoxide Reductase with DFT+U
Electron Transfer Problems in Aqueous Environments
Polymer Mixtures and Self-Assembly
SDS and PEG Surfactant Self-Assembly
Hybrid Nanomaterials
Aqueous Ionic Liquids
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Publications
Membrane Proteins and Enzymes
Membranes and Biomaterials
Methods and Algorithms
Past Projects