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Sangyoub LeeProfessor
  • E-MAILsangyoub@snu.ac.kr
  • ADDRESS502-228, 229, 230

  • OFFICE+82-2-875-4887FAX+82-2-874-4887LAB+82-2-880-6661

Current Research Interests
The research interests in my group are within the general area of reaction kinetics and dynamics of molecules in condensed phases. In particular, the current research efforts are directed toward understanding the dynamic solvent effects on molecular dynamics and reaction kinetics. The dynamic solvent effects may be approached in two aspects. One is the nonequilibrium solvation that influences the barrier crossing processes on the free energy surface and the adiabatic or nonadiabatic charge transfer processes occurring in polar medium. The other is the microscopic nonequilibrium distribution of reactant molecules due to retarded diffusive encounter in very fast reactions, such as fluorescence quenching, radical or ion recombination, the coagulation of colloid particles, and so on. To attack these problems, we formulate new analytic theories and devise new computational techniques.

More recently, we started looking at the problems of biological interests. By using various computational methodologies, such as homology modeling, force field design, protein-ligand docking, and free energy simulations, we are trying to illuminate the molecular-level mechanism of enzyme action and optimize the structures of drug molecules. In particular, we are currently developing a very promising computer simulation method for calculating the enzyme reactivity. This new method can even predict the change in enzyme reactivity due to the mutation of a single side chain.

Other areas of recent research interests are complex reaction systems, involving polymers, membranes, and disordered surfaces. These studies involve the application of relatively novel mathematical concepts, such as fractal theory and fractional calculus.


Education
B.S. Chemistry, Seoul National University, Korea, 1978

Ph.D. Chemistry, Harvard University, USA, 1986


Research Experiences
Postdoctoral Fellow, University of Colorado at Boulder, USA, 1986-1988


Representative Publications
J.-H. Kim and S. Lee, "Theory of Non-Markovian Rate Processes", J. Phys. Chem. B 112, 577-584 (2008).

J.-H. Kim, D. Huh, J. Lee, S. Lee, J. Sung, K. Seki, and M. Tachiya, "Subdiffusion-Assisted Reaction Kinetics in Disordered Media", Journal of Physics: Condensed Matter, 19, 065116 (14pp) (2007).

J.-H. Kim and S. Lee, "The optimized Rouse–Zimm theory of excluded volume effects on chain dynamics", J. Chem. Phys., 121, 12640-12649 (2004).

H. Park and S. Lee, "Determination of the Active Site Protonation State of b-Secretase from Molecular Dynamics Simulation and Docking Experiment: Implications for Structure-based Inhibitor Design", J. Am. Chem. Soc. 125, 16416-16422 (2003).

J. Sung and S. Lee, "Nonequilibrium Distribution Function Formalism for Diffusion-Influenced Bimolecular Reactions: Beyond the Superposition Approximation", J. Chem. Phys., 111, 796-803 (1999).

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