Sunhwan Jo

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 8

Top Topics

Monte Carlo Simulation

Molecular Dynamics

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Mingtian Zhao, Abhishek A. Kognole, Sunhwan Jo, Aoxiang Tao, Anthony Hazel, Alexander D. MacKerell Jr.
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations. J. Comput. Chem. 44 (20) (2023)
Abhishek A. Kognole, Jumin Lee, Sang-Jun Park, Sunhwan Jo, Payal Chatterjee, Justin A. Lemkul, Jing Huang, Alexander D. MacKerell Jr., Wonpil Im
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. J. Comput. Chem. 43 (5) (2022)
Vincent D. Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, Wenbo Yu, Wenjuan Jiang, Alexander D. MacKerell Jr.
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization. J. Chem. Inf. Model. 59 (6) (2019)
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) (2017)
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) (2017)
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) (2017)
Sunhwan Jo, Wei Jiang
A generic implementation of replica exchange with solute tempering (REST2) algorithm in NAMD for complex biophysical simulations. Comput. Phys. Commun. 197 (2015)
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) (2015)
Yifei Qi, Xi Cheng, Wei Han, Sunhwan Jo, Klaus Schulten, Wonpil Im
CHARMM-GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse-Grained Simulations. J. Chem. Inf. Model. 54 (3) (2014)
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
toward realistic biological membrane simulations. J. Comput. Chem. 35 (27) (2014)
Avisek Das, Mert Gur, Mary Hongying Cheng, Sunhwan Jo, Ivet Bahar, Benoît Roux
Exploring the Conformational Transitions of Biomolecular Systems Using a Simple Two-State Anisotropic Network Model. PLoS Comput. Biol. 10 (4) (2014)
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
ST-analyzer: A web-based user interface for simulation trajectory analysis. J. Comput. Chem. 35 (12) (2014)
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) (2013)
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)
Sunhwan Jo, Wonpil Im
Glycan fragment database: a database of PDB-based glycan 3D structures. Nucleic Acids Res. 41 (Database-Issue) (2013)
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) (2013)
Kyu Il Lee, Sunhwan Jo, Huan Rui, Bernhard Egwolf, Benoît Roux, Richard W. Pastor, Wonpil Im
Web interface for brownian dynamics simulation of ion transport and its applications to beta-barrel pores. J. Comput. Chem. 33 (3) (2012)
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) (2012)
Sunhwan Jo, Kevin C. Song, Heather Desaire, Alexander D. MacKerell Jr., Wonpil Im
Glycan reader: Automated sugar identification and simulation preparation for carbohydrates and glycoproteins. J. Comput. Chem. 32 (14) (2011)
Sunhwan Jo, Taehoon Kim, Vidyashankara G. Iyer, Wonpil Im
CHARMM-GUI: A web-based graphical user interface for CHARMM. J. Comput. Chem. 29 (11) (2008)
Sunhwan Jo, Miklós Vargyas, Judit Vasko-Szedlar, Benoît Roux, Wonpil Im
PBEQ-Solver for online visualization of electrostatic potential of biomolecules. Nucleic Acids Res. 36 (Web-Server-Issue) (2008)