Invited Lectures and
- Research Field
Computational biophysics, computational chemistry, bioinformatics
- Overall Interests
Structure, thermodynamics, dynamics and function of biological molecules
- Current Research Programs
- 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.
- Structure-based Rational Drug Design: our focus is on the
structure-based rational design of anti-cancer agents and antibiotics.
- New Algorithms and Theory: we are developing new algorithms to
identify key protein targets involved in diseases as well as implicit solvent models for
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.