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Hui Sun Lee
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2010 – 2019
- 2019
- [j13]Hui Sun Lee, Wonpil Im
:
Stalis: A Computational Method for Template-Based Ab Initio Ligand Design. J. Comput. Chem. 40(17): 1622-1632 (2019) - 2017
- [j12]Sang-Jun Park, Jumin Lee, Dhilon S. Patel, Hongjing Ma, Hui Sun Lee, Sunhwan Jo, Wonpil Im:
Glycan Reader is improved to recognize most sugar types and chemical modifications in the Protein Data Bank. Bioinform. 33(19): 3051-3057 (2017) - [j11]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, Alexander D. MacKerell Jr., Jeffrey B. Klauda, Yifei Qi, Wonpil Im:
CHARMM-GUI 10 years for biomolecular modeling and simulation. J. Comput. Chem. 38(15): 1114-1124 (2017) - [j10]Seonghoon Kim, Jumin Lee, Sunhwan Jo, Charles L. Brooks III, Hui Sun Lee, Wonpil Im
:
CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules. J. Comput. Chem. 38(21): 1879-1886 (2017) - 2015
- [j9]Hui Sun Lee, Sunhwan Jo, Srayanta Mukherjee, Sang-Jun Park, Jeffrey Skolnick, Jooyoung Lee, Wonpil Im:
GS-align for glycan structure alignment and similarity measurement. Bioinform. 31(16): 2653-2659 (2015) - 2013
- [j8]Sunhwan Jo, Wei Jiang, Hui Sun Lee, Benoît Roux, Wonpil Im:
CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application. J. Chem. Inf. Model. 53(1): 267-277 (2013) - [j7]Xi Cheng, Sunhwan Jo, Hui Sun Lee, Jeffery B. Klauda, Wonpil Im:
CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems. J. Chem. Inf. Model. 53(8): 2171-2180 (2013) - [j6]Hui Sun Lee, Wonpil Im:
Ligand Binding Site Detection by Local Structure Alignment and Its Performance Complementarity. J. Chem. Inf. Model. 53(9): 2462-2470 (2013) - [j5]Sunhwan Jo, Hui Sun Lee, Jeffrey Skolnick, Wonpil Im:
Restricted N-glycan Conformational Space in the PDB and Its Implication in Glycan Structure Modeling. PLoS Comput. Biol. 9(3) (2013) - 2012
- [j4]Hui Sun Lee, Sunhwan Jo, Hyun-Suk Lim, Wonpil Im:
Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors. J. Chem. Inf. Model. 52(7): 1821-1832 (2012) - [j3]Hui Sun Lee, Wonpil Im:
Identification of Ligand Templates using Local Structure Alignment for Structure-Based Drug Design. J. Chem. Inf. Model. 52(10): 2784-2795 (2012)
2000 – 2009
- 2009
- [j2]Hui Sun Lee, Cheol Soon Lee, Jeong Sook Kim, Dong Hou Kim, Han Choe:
Improving Virtual Screening Performance against Conformational Variations of Receptors by Shape Matching with Ligand Binding Pocket. J. Chem. Inf. Model. 49(11): 2419-2428 (2009) - 2008
- [j1]Hui Sun Lee, Jiwon Choi, Irina Kufareva
, Ruben Abagyan, Anton V. Filikov, Young Yang
, Sukjoon Yoon:
Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods. J. Chem. Inf. Model. 48(3): 489-497 (2008)
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