Sangyoub Lee

Learn More
As an effort to develop therapeutics for cancer treatments, a number of effective histone deacetylase inhibitors with structural diversity have been discovered. To gain insight into optimizing the activity of an identified lead compound, a computational protocol sequentially involving homology modeling, docking experiments, molecular dynamics simulation,(More)
The discovery of selective cyclooxygenase-2 (COX-2) inhibitors represents a major achievement of the efforts over the past few decades to develop therapeutic treatments for inflammation. To gain insights into designing new COX-2-selective inhibitors, we address the energetic and structural basis for the selective inhibition of COX isozymes by means of a(More)
Based on the optimized Rouse-Zimm (ORZ) approximation to the Kirkwood diffusion equation, we investigate the effects of excluded volume interactions on the single chain dynamics. By incorporating the nonuniformly expanded moments of interbead distances into the expressions for the diffusion and structure matrices appearing in the ORZ diffusion equation, we(More)
  • 1