Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods. - Hui Sun Lee; Jiwon Choi; Irina Kufareva; Ruben Abagyan; Anton V. Filikov; Young Yang; Sukjoon Yoon (J. Chem. Inf. Model., 2008)

Improving Virtual Screening Performance against Conformational Variations of Receptors by Shape Matching with Ligand Binding Pocket. - Hui Sun Lee; Cheol Soon Lee; Jeong Sook Kim; Dong Hou Kim; Han Choe (J. Chem. Inf. Model., 2009)

Identification of Ligand Templates using Local Structure Alignment for Structure-Based Drug Design. - Hui Sun Lee; Wonpil Im (J. Chem. Inf. Model., 2012)

Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors. - Hui Sun Lee; Sunhwan Jo; Hyun-Suk Lim; Wonpil Im (J. Chem. Inf. Model., 2012)

CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems. - Xi Cheng; Sunhwan Jo; Hui Sun Lee; Jeffery B. Klauda; Wonpil Im (J. Chem. Inf. Model., 2013)

CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application. - Sunhwan Jo; Wei Jiang; Hui Sun Lee; Benoît Roux; Wonpil Im (J. Chem. Inf. Model., 2013)

Ligand Binding Site Detection by Local Structure Alignment and Its Performance Complementarity. - Hui Sun Lee; Wonpil Im (J. Chem. Inf. Model., 2013)

Restricted N-glycan Conformational Space in the PDB and Its Implication in Glycan Structure Modeling. - Sunhwan Jo; Hui Sun Lee; Jeffrey Skolnick; Wonpil Im (PLoS Comput. Biol., 2013)

GS-align for glycan structure alignment and similarity measurement. - Hui Sun Lee; Sunhwan Jo; Srayanta Mukherjee; Sang-Jun Park; Jeffrey Skolnick; Jooyoung Lee; Wonpil Im (Bioinform., 2015)

Glycan Reader is improved to recognize most sugar types and chemical modifications in the Protein Data Bank. - Sang-Jun Park; Jumin Lee; Dhilon S. Patel; Hongjing Ma; Hui Sun Lee; Sunhwan Jo; Wonpil Im (Bioinform., 2017)

CHARMM-GUI 10 years for biomolecular modeling and simulation. - Sunhwan Jo; Xi Cheng; Jumin Lee; Seonghoon Kim; Sang-Jun Park; Dhilon S. Patel; Andrew H. Beaven; Kyu Il Lee; Huan Rui; Soohyung Park; Hui Sun Lee; Benoît Roux; et al. (J. Comput. Chem., 2017)

CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules. - Seonghoon Kim; Jumin Lee; Sunhwan Jo; Charles L. Brooks III; Hui Sun Lee; Wonpil Im (J. Comput. Chem., 2017)

Stalis: A Computational Method for Template-Based Ab Initio Ligand Design. - Hui Sun Lee; Wonpil Im (J. Comput. Chem., 2019)