Sunhwan Jo

21 papers Journal 21
YearRankTypeTitle / Venue / Authors
2023 J jnl
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations.
J. Comput. Chem.
Mingtian Zhao, Abhishek A. Kognole, Sunhwan Jo, Aoxiang Tao, Anthony Hazel, Alexander D. MacKerell Jr.
2022 J jnl
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.
J. Comput. Chem.
Abhishek A. Kognole, Jumin Lee, Sang-Jun Park, Sunhwan Jo, Payal Chatterjee, Justin A. Lemkul, Jing Huang, Alexander D. MacKerell Jr., Wonpil Im
2019 J jnl
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization.
J. Chem. Inf. Model.
Vincent D. Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, Wenbo Yu, Wenjuan Jiang, Alexander D. MacKerell Jr.
2017 J jnl
CHARMM-GUI 10 years for biomolecular modeling and simulation.
J. Comput. Chem.
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
2017 J jnl
CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.
J. Comput. Chem.
Seonghoon Kim, Jumin Lee, Sunhwan Jo, Charles L. Brooks III, Hui Sun Lee, Wonpil Im
2017 J jnl
Glycan Reader is improved to recognize most sugar types and chemical modifications in the Protein Data Bank.
Bioinform.
Sang-Jun Park, Jumin Lee, Dhilon S. Patel, Hongjing Ma, Hui Sun Lee, Sunhwan Jo, Wonpil Im
2015 J jnl
A generic implementation of replica exchange with solute tempering (REST2) algorithm in NAMD for complex biophysical simulations.
Comput. Phys. Commun.
Sunhwan Jo, Wei Jiang
2015 J jnl
GS-align for glycan structure alignment and similarity measurement.
Bioinform.
Hui Sun Lee, Sunhwan Jo, Srayanta Mukherjee, Sang-Jun Park, Jeffrey Skolnick, Jooyoung Lee, Wonpil Im
2014 J jnl
CHARMM-GUI
J. Comput. Chem.
Emilia L. Wu, Xi Cheng, Sunhwan Jo, Huan Rui, Kevin C. Song, Eder M. Dávila-Contreras, Yifei Qi, Jumin Lee, Viviana Monje-Galvan, Richard M. Venable, Jeffery B. Klauda, Wonpil Im
2014 J jnl
CHARMM-GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse-Grained Simulations.
J. Chem. Inf. Model.
Yifei Qi, Xi Cheng, Wei Han, Sunhwan Jo, Klaus Schulten, Wonpil Im
2014 J jnl
Exploring the Conformational Transitions of Biomolecular Systems Using a Simple Two-State Anisotropic Network Model.
PLoS Comput. Biol.
Avisek Das, Mert Gur, Mary Hongying Cheng, Sunhwan Jo, Ivet Bahar, Benoît Roux
2014 J jnl
ST-analyzer: A web-based user interface for simulation trajectory analysis.
J. Comput. Chem.
Jong Cheol Jeong, Sunhwan Jo, Emilia L. Wu, Yifei Qi, Viviana Monje-Galvan, Min Sun Yeom, Lev Gorenstein, Feng Chen, Jeffery B. Klauda, Wonpil Im
2013 J jnl
CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application.
J. Chem. Inf. Model.
Sunhwan Jo, Wei Jiang, Hui Sun Lee, Benoît Roux, Wonpil Im
2013 J jnl
CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems.
J. Chem. Inf. Model.
Xi Cheng, Sunhwan Jo, Hui Sun Lee, Jeffery B. Klauda, Wonpil Im
2013 J jnl
Glycan fragment database: a database of PDB-based glycan 3D structures.
Nucleic Acids Res.
Sunhwan Jo, Wonpil Im
2013 J jnl
Restricted N-glycan Conformational Space in the PDB and Its Implication in Glycan Structure Modeling.
PLoS Comput. Biol.
Sunhwan Jo, Hui Sun Lee, Jeffrey Skolnick, Wonpil Im
2012 J jnl
Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors.
J. Chem. Inf. Model.
Hui Sun Lee, Sunhwan Jo, Hyun-Suk Lim, Wonpil Im
2012 J jnl
Web interface for brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
J. Comput. Chem.
Kyu Il Lee, Sunhwan Jo, Huan Rui, Bernhard Egwolf, Benoît Roux, Richard W. Pastor, Wonpil Im
2011 J jnl
Glycan reader: Automated sugar identification and simulation preparation for carbohydrates and glycoproteins.
J. Comput. Chem.
Sunhwan Jo, Kevin C. Song, Heather Desaire, Alexander D. MacKerell Jr., Wonpil Im
2008 J jnl
CHARMM-GUI: A web-based graphical user interface for CHARMM.
J. Comput. Chem.
Sunhwan Jo, Taehoon Kim, Vidyashankara G. Iyer, Wonpil Im
2008 J jnl
PBEQ-Solver for online visualization of electrostatic potential of biomolecules.
Nucleic Acids Res.
Sunhwan Jo, Miklós Vargyas, Judit Vasko-Szedlar, Benoît Roux, Wonpil Im