RESEARCH INTERESTS

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  • Research Field
    Computational biophysics, computational chemistry, bioinformatics
  • Overall Interests
    Structure, thermodynamics, dynamics and function of biological molecules
  • Current Research Programs
    1. Protein Recognition: this involves a systematic study of the individual forces governing protein-metal, protein-protein and protein-nucleic acid binding affinity and specificity as well as the detailed mechanism underlying metal-induced folding of zinc-finger proteins.

    2. Structure-based Rational Drug Design: our focus is on the structure-based rational design of anti-cancer agents and antibiotics.

    3. New Algorithms and Theory: we are developing new algorithms to identify key protein targets involved in diseases as well as implicit solvent models for computer simulations.

    A variety of computational methods are employed including ab initio quantum mechanics methods, molecular dynamics/Monte Carlo simulations, continuum dielectric methods, solvation theory, protein docking, homology modeling, and database mining.

    The above research in bioinformatics, computational biophysics and computational chemistry is at the interface of biology, physics, chemistry, and computer science, thus students will develop interdisciplinary knowledge and skills.

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