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My research program in computational medicinal chemistry involves four major focus areas: dynamic simulations of enzyme catalysis, non-covalent interactions of aromatic amino acids, design and mode of action of novel antimicrobial peptidomimetics, and novel weak hydrogen bonds for supramolecular chemistry. My group develops and applies computationally-intensive methods of theoretical chemistry to important human disease targets such as hyperbilirubinemia, malaria, nosocomial infections and hepatitis B. Those in the research group are being prepared for a career in science through an individualized apprenticeship involving learning, actually doing research and reporting the research (oral and written forms).

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