Expert In
Aqueous Solvation Of Biomolecules
Biomass Conversion
Biophysics
Cellulases And Cellulose
Cellulose Degradation
Cellulose Hydrolysis
Computer Modeling Of Carbohydrates
Cryoprotectants
Food Chemistry
Food Functional Properties
Molecular Dynamics Simulations
Neutron Diffraction With Isotopic Substitution
Theoretical Chemistry
Trehalose
Bio/Research
Our research primarily involves the dynamics and hydration of biopolymers, and of the relationship between structure, conformation, and function in biological systems. Specific examples includes the solution behavior of biopolymers, the factors which determine secondary and tertiary structure in ...
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Bio/Research
Our research primarily involves the dynamics and hydration of biopolymers, and of the relationship between structure, conformation, and function in biological systems. Specific examples includes the solution behavior of biopolymers, the factors which determine secondary and tertiary structure in polymers, enzymatic reaction mechanisms, rational drug design, the effects of point mutations in proteins, and the possibility of engineering desirable modifications in the function of wild-type proteins. In our work we use the techniques of computational theoretical chemistry to numerically model the properties of biopolymers and solutions. These techniques, often called Molecular Mechanics, include computer graphics-based molecular docking, energy minimization and conformational energy calculations, and molecular dynamics simulations.
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