Im Lab, Biological Sciences and Bioengineering, Lehigh University
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CHARMM‐GUI: A web‐based graphical user interface for CHARMM
S Jo, T Kim, VG Iyer, W Im
Journal of computational chemistry 29 (11), 1859-1865, 2008
CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field
J Lee, X Cheng, JM Swails, MS Yeom, PK Eastman, JA Lemkul, S Wei, ...
Journal of chemical theory and computation 12 (1), 405-413, 2016
CHARMM‐GUI Membrane Builder toward realistic biological membrane simulations
EL Wu, X Cheng, S Jo, H Rui, KC Song, EM Dávila‐Contreras, Y Qi, J Lee, ...
Journal of computational chemistry 35 (27), 1997-2004, 2014
CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes
S Jo, JB Lim, JB Klauda, W Im
Biophysical journal 97 (1), 50-58, 2009
Automated builder and database of protein/membrane complexes for molecular dynamics simulations
S Jo, T Kim, W Im
PloS one 2 (9), e880, 2007
PBEQ-Solver for online visualization of electrostatic potential of biomolecules
S Jo, M Vargyas, J Vasko-Szedlar, B Roux, W Im
Nucleic acids research 36 (suppl_2), W270-W275, 2008
CHARMM-GUI Martini maker for coarse-grained simulations with the Martini force field
Y Qi, HI Ingólfsson, X Cheng, J Lee, SJ Marrink, W Im
Journal of chemical theory and computation 11 (9), 4486-4494, 2015
CHARMM‐GUI 10 years for biomolecular modeling and simulation
S Jo, X Cheng, J Lee, S Kim, SJ Park, DS Patel, AH Beaven, KI Lee, H Rui, ...
Journal of computational chemistry 38 (15), 1114-1124, 2017
CHARMM‐GUI ligand reader and modeler for CHARMM force field generation of small molecules
S Kim, J Lee, S Jo, CL Brooks III, HS Lee, W Im
Journal of computational chemistry 38 (21), 1879-1886, 2017
Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins
S Jo, KC Song, H Desaire, AD MacKerell Jr, W Im
Journal of computational chemistry 32 (14), 3135-3141, 2011
CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans
J Lee, DS Patel, J Stĺhle, SJ Park, NR Kern, S Kim, J Lee, X Cheng, ...
Journal of chemical theory and computation 15 (1), 775-786, 2018
CHARMM-GUI PDB Manipulator for Advanced Modeling and Simulations of Proteins Containing Nonstandard Residues
S Jo, X Cheng, SM Islam, L Huang, H Rui, A Zhu, HS Lee, Y Qi, W Han, ...
Advances in protein chemistry and structural biology 96, 235-265, 2014
CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates
SJ Park, J Lee, Y Qi, NR Kern, HS Lee, S Jo, IS Joung, K Joo, J Lee, W Im
Glycobiology 29 (4), 320-331, 2019
CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides
PC Hsu, BMH Bruininks, D Jefferies, P Cesar Telles de Souza, J Lee, ...
Journal of Computational Chemistry 38 (27), 2354-2363, 2017
CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems
X Cheng, S Jo, HS Lee, JB Klauda, W Im
Journal of chemical information and modeling 53 (8), 2171–2180, 2013
CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model
Y Qi, X Cheng, J Lee, JV Vermaas, TV Pogorelov, E Tajkhorshid, S Park, ...
Biophysical Journal 109 (10), 2012-2022, 2015
CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application
S Jo, W Jiang, HS Lee, B Roux, W Im
Journal of Chemical Information and Modeling 53 (1), 267–277, 2013
Glycan Reader is improved to recognize most sugar types and chemical modifications in the Protein Data Bank
SJ Park, J Lee, DS Patel, H Ma, HS Lee, S Jo, W Im
Bioinformatics 33 (19), 3051-3057, 2017
Web interface for brownian dynamics simulation of ion transport and its applications to beta‐barrel pores
KI Lee, S Jo, H Rui, B Egwolf, B Roux, RW Pastor, W Im
Journal of computational chemistry 33 (3), 331–339, 2012
CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations
Y Qi, X Cheng, W Han, S Jo, K Schulten, W Im
Journal of chemical information and modeling 54 (3), 1003-1009, 2014
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