S
Sunhwan Jo
Researcher at Argonne National Laboratory
Publications - 65
Citations - 14901
Sunhwan Jo is an academic researcher from Argonne National Laboratory. The author has contributed to research in topics: Molecular dynamics & Glycan. The author has an hindex of 27, co-authored 64 publications receiving 9299 citations. Previous affiliations of Sunhwan Jo include University of Pennsylvania & University of Kansas.
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Journal ArticleDOI
CHARMM-GUI: a web-based graphical user interface for CHARMM.
TL;DR: The CHARMM-GUI as mentioned in this paper is a web-based graphical user interface to generate various input files and molecular systems to facilitate and standardize the usage of common and advanced simulation techniques in CHARMM.
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CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field
Jumin Lee,Xi Cheng,Jason M. Swails,Min Sun Yeom,Peter Eastman,Justin A. Lemkul,Shuai Wei,Joshua Buckner,Jong Cheol Jeong,Yifei Qi,Sunhwan Jo,Vijay S. Pande,David A. Case,Charles L. Brooks,Alexander D. MacKerell,Jeffery B. Klauda,Wonpil Im +16 more
TL;DR: The optimal simulation protocol for each program has been implemented in CHARMM-GUI and is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.
Journal ArticleDOI
CHARMM-GUI Membrane Builder 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 +11 more
TL;DR: The new features and major improvements in Membrane Builder that allow users to robustly build realistic biological membrane systems are described, including addition of new lipid types, including phosphoinositides, cardiolipin (CL), sphingolipids, bacterial lipids, and ergosterol.
Software News and Updates CHARMM-GUI: A Web-Based Graphical User Interface for CHARMM
TL;DR: The currently available functional modules of CHARMM‐GUI Input Generator that form a basis for the advanced simulation techniques in CHARMM are described.
Journal ArticleDOI
CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes
TL;DR: The CHARMM-GUI Membrane Builder was expanded to automate the building process of heterogeneous lipid bilayers, with or without a protein and with support for up to 32 different lipid types, to test the efficacy of these new features.