Sunhwan Jo

According to our database, Sunhwan Jo authored at least 21 papers between 2008 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations.

Mingtian Zhao, Abhishek A. Kognole, Sunhwan Jo, Aoxiang Tao, Anthony Hazel, Alexander D. MacKerell Jr.

J. Comput. Chem., 2023

2022

CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.

Abhishek A. Kognole, Jumin Lee, Sang-Jun Park, Sunhwan Jo, Payal Chatterjee, Justin A. Lemkul, Jing Huang, Alexander D. MacKerell Jr., Wonpil Im

J. Comput. Chem., 2022

2019

Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization.

Vincent D. Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, Wenbo Yu, Wenjuan Jiang, Alexander D. MacKerell Jr.

J. Chem. Inf. Model., 2019

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

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, Alexander D. MacKerell Jr., Jeffrey B. Klauda, Yifei Qi, Wonpil Im

J. Comput. Chem., 2017

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

2015

A generic implementation of replica exchange with solute tempering (REST2) algorithm in NAMD for complex biophysical simulations.

Sunhwan Jo, Wei Jiang

Comput. Phys. Commun., 2015

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

2014

Exploring the Conformational Transitions of Biomolecular Systems Using a Simple Two-State Anisotropic Network Model.

Avisek Das, Mert Gur, Mary Hongying Cheng, Sunhwan Jo, Ivet Bahar, Benoît Roux

PLoS Comput. Biol., 2014

CHARMM-GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse-Grained Simulations.

Yifei Qi, Xi Cheng, Wei Han, Sunhwan Jo, Klaus Schulten, Wonpil Im

J. Chem. Inf. Model., 2014

CHARMM-GUI <i>Membrane Builder</i> toward realistic biological membrane simulations.

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

J. Comput. Chem., 2014

ST-analyzer: A web-based user interface for simulation trajectory analysis.

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

J. Comput. Chem., 2014

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

Glycan fragment database: a database of PDB-based glycan 3D structures.

Sunhwan Jo, Wonpil Im

Nucleic Acids Res., 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

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

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

Web interface for brownian dynamics simulation of ion transport and its applications to beta-barrel pores.

Kyu Il Lee, Sunhwan Jo, Huan Rui, Bernhard Egwolf, Benoît Roux, Richard W. Pastor, Wonpil Im

J. Comput. Chem., 2012

2011

Glycan reader: Automated sugar identification and simulation preparation for carbohydrates and glycoproteins.

Sunhwan Jo, Kevin C. Song, Heather Desaire, Alexander D. MacKerell Jr., Wonpil Im

J. Comput. Chem., 2011

2008

PBEQ-Solver for online visualization of electrostatic potential of biomolecules.

Sunhwan Jo, Miklós Vargyas, Judit Vasko-Szedlar, Benoît Roux, Wonpil Im

Nucleic Acids Res., 2008

CHARMM-GUI: A web-based graphical user interface for CHARMM.

Sunhwan Jo, Taehoon Kim, Vidyashankara G. Iyer, Wonpil Im

J. Comput. Chem., 2008