Affiliation: Seoul National University
- Flexible alignment of small molecules using the penalty methodWhanchul Shin
Department of Chemistry and Interdisciplinary Program in Bioinformatics, Seoul National University, Seoul, Korea
J Chem Inf Model 49:1879-88. 2009..FAP is accurate, objective, fully automated, and fast enough to be used as a tool for virtual screening...
- Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensembleEdon Sung
Department of Chemistry, Seoul National University, Seoul 151 742, Korea
BMC Bioinformatics 11:256. 2010..Here we propose a new method, ROTAIMAGE, for modelling the plausible conformers for the ligand binding site given a fixed backbone structure...