Publications by authors named "Hui-Sun Lee"

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STELLA provides a drug design framework enabling extensive fragment-level chemical space exploration and balanced multi-parameter optimization.
Hokyun Jeon, Jin Gyu Lee, Wonseok Shin, Hyunjun Ji, InSuk Joung, Hui Sun Lee

Sci Rep· August 2025

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A novel anxiety-associated SNP identified in () is associated with decreased protein binding to nicotinic acetylcholine receptors.
Kristin R Anderson, Wenpeng Cao, Hui Sun Lee, Mark A Crenshaw, Talulla B Palumbo

Front Behav Neurosci· December 2024

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Ligand-Binding-Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site Templates.
Hugo Guterres, Hui Sun Lee, Wonpil Im

J Chem Theory Comput· November 2019

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Stalis: A Computational Method for Template-Based Ab Initio Ligand Design.
Hui Sun Lee, Wonpil Im

J Comput Chem· June 2019

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CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates.
Sang-Jun Park, Jumin Lee, Yifei Qi, Nathan R Kern, Hui Sun Lee, Jooyoung Lee

Glycobiology· April 2019

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Augmenting the antinociceptive effects of nicotinic acetylcholine receptor activity through lynx1 modulation.
Neel I Nissen, Kristin R Anderson, Huaixing Wang, Hui Sun Lee, Carly Garrison

PLoS One· January 2019

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Molecular Basis of Aqueous-like Activity of Lipase Treated with Glucose-Headed Surfactant in Organic Solvent.
Hui Sun Lee, Yeonock Oh, Mahn-Joo Kim, Wonpil Im

J Phys Chem B· November 2018

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G-LoSA for Prediction of Protein-Ligand Binding Sites and Structures.
Hui Sun Lee, Wonpil Im

Methods Mol Biol· February 2018

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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

Bioinformatics· October 2017

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Effects of N-Glycan Composition on Structure and Dynamics of IgG1 Fc and Their Implications for Antibody Engineering.
Hui Sun Lee, Wonpil Im

Sci Rep· October 2017

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Transmembrane motions of PglB induced by LLO are coupled with EL5 loop conformational changes necessary for OST activity.
Hui Sun Lee, Wonpil Im

Glycobiology· August 2017

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Transmembrane motions of PglB induced by LLO are coupled with EL5 loop conformational changes necessary for OST activity.
Hui Sun Lee, Wonpil Im

Glycobiology· August 2017

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CHARMM-GUI 10 years for biomolecular modeling and simulation.
Sunhwan Jo, Xi Cheng, Jumin Lee, Seonghoon Kim, Sang-Jun Park, Kyu Il Lee, Hui Sun Lee

J Comput Chem· June 2017

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CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.
Seonghoon Kim, Jumin Lee, Sunhwan Jo, Charles L Brooks, Hui Sun Lee

J Comput Chem· June 2017

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L-Met Activates Arabidopsis GLR Ca Channels Upstream of ROS Production and Regulates Stomatal Movement.
Dongdong Kong, Heng-Cheng Hu, Eiji Okuma, Yuree Lee, Hui Sun Lee

Cell Rep· December 2016

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G-LoSA: An efficient computational tool for local structure-centric biological studies and drug design.
Hui Sun Lee, Wonpil Im

Protein Sci· April 2016

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CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues.
Sunhwan Jo, Xi Cheng, Shahidul M Islam, Lei Huang, Huan Rui, Hui Sun Lee

Adv Protein Chem Struct Biol· October 2015

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GS-align for glycan structure alignment and similarity measurement.
Hui Sun Lee, Sunhwan Jo, Srayanta Mukherjee, Sang-Jun Park, Jeffrey Skolnick, Jooyoung Lee

Bioinformatics· August 2015

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Effects of N-glycosylation on protein conformation and dynamics: Protein Data Bank analysis and molecular dynamics simulation study.
Hui Sun Lee, Yifei Qi, Wonpil Im

Sci Rep· March 2015

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Potential Application of Alchemical Free Energy Simulations to Discriminate GPCR Ligand Efficacy.
Hui Sun Lee, Chaok Seok, Wonpil Im

J Chem Theory Comput· March 2015

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Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase.
Nathan R Kern, Hui Sun Lee, Emilia L Wu, Soohyung Park, Kenno Vanommeslaeghe

Biophys J· October 2014

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Potential pharmacological chaperones targeting cancer-associated MCL-1 and Parkinson disease-associated α-synuclein.
Misook Oh, Ji Hoon Lee, Wei Wang, Hui Sun Lee, Woo Sirl Lee

Proc Natl Acad Sci U S A· July 2014

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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· November 2013

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Ligand binding site detection by local structure alignment and its performance complementarity.
Hui Sun Lee, Wonpil Im

J Chem Inf Model· September 2013

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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· August 2013

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