Identification of compounds exhibiting inhibitory activity toward the Pseudomonas tolaasii toxin tolaasin I using in silico docking calculations, NMR binding assays, and in vitro hemolytic activity assays.
Lee Y, Woo Y, Lee S, Kang K, Yong Y, Kim JK, Kim KP, Kim MH, Kim YK, Lim Y, Bioorg Med Chem Lett, 2009 Aug 1 - link

Critical assessment of the automated AutoDock as a new docking tool for virtual screening.
Park H, Lee J, Lee S, Proteins, 2006 Nov 15 - link

Docking-based substrate recognition by the catalytic domain of a protein tyrosine kinase, C-terminal Src kinase (Csk).
Lee S, Ayrapetov MK, Kemble DJ, Parang K, Sun G, J Biol Chem, 2006 Mar 24 - link

Determination of the active site protonation state of beta-secretase from molecular dynamics simulation and docking experiment: implications for structure-based inhibitor design.
Park H, Lee S, J Am Chem Soc, 2003 Dec 31 - link

Determination of the substrate-docking site of protein tyrosine kinase C-terminal Src kinase.
Lee S, Lin X, Nam NH, Parang K, Sun G, Proc Natl Acad Sci U S A, 2003 Dec 9 - link