Jung-Goo Lee

Works (11)

Updated: November 23rd, 2023 05:00
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2023 article

Conformationally Restricted Glycopeptide Backbone Inhibits Gas-Phase H/D Scrambling between Glycan and Peptide Moieties

Code, C., Qiu, D., Solov'yov, I. A., Lee, J.-G., Shin, H.-C., Roland, C., … Jorgensen, T. J. D. (2023, October 26). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.

By: C. Code*, D. Qiu*, I. Solov'yov *, J. Lee*, H. Shin *, C. Roland n, C. Sagui n, D. Houde *, K. Rand *, T. Jorgensen *

co-author countries: Germany 🇩🇪 Denmark 🇩🇰 Korea (Republic of) 🇰🇷 United States of America 🇺🇸
Source: Web Of Science
Added: November 20, 2023

2016 journal article

Comparative Structural and Computational Analysis Supports Eighteen Cellulose Synthases in the Plant Cellulose Synthesis Complex

Scientific Reports, 6(1).

By: B. Nixon *, K. Mansouri  n, A. Singh n, J. Du *, J. Davis n, J. Lee n, E. Slabaugh n, V. Vandavasi* ...

co-author countries: United States of America 🇺🇸

Contributors: C. Haigler n , Y. Yingling n , A. Roberts *, E. Roberts *, H. O'Neill *, V. Vandavasi*, E. Slabaugh n, J. Lee n ...

MeSH headings : Cellulose / biosynthesis; Cellulose / chemistry; Glucosyltransferases / chemistry; Models, Molecular; Plant Proteins / chemistry; Protein Domains; Protein Folding; Protein Structure, Quaternary
Sources: Web Of Science, ORCID, Crossref
Added: August 6, 2018

2010 journal article

Dimerization free energy of Vancomycin-group antibiotics and the cooperative effect: A density functional approach

International Journal of Quantum Chemistry, 110(15), 2894–2902.

By: J. Lee, C. Sagui & C. Roland

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation

International Journal of Quantum Chemistry, 110(15), 2865–2879.

By: M. Moradi, J. Lee, V. Babin, C. Roland & C. Sagui

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Structural determination of large molecules through the reassembly of optimized fragments

JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 27(3), 364–375.

By: J. Lee*, Y. Lee & C. Roland*

author keywords: Divide and conquer; Geometry optimization; Ab initio; FORM
MeSH headings : Alanine / chemistry; Algorithms; Alkanes / chemistry; Models, Molecular; Organic Chemicals / chemistry; Particle Size
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Theoretical investigation of the interaction of glycine with diamond C(100) and C(111) (2x1) surfaces

JOURNAL OF PHYSICAL CHEMISTRY C, 111(34), 12760–12767.

By: K. Odbadrakh n, X. Luo  n, J. Lee n, C. Sagui n & C. Roland n

co-author countries: United States of America 🇺🇸
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Deprotonation of solvated formic acid: Car-Parrinello and metadynamics simulations

JOURNAL OF PHYSICAL CHEMISTRY B, 110(5), 2325–2331.

By: J. Lee n, E. Asciutto n, V. Babin n, C. Sagui n, T. Darden n & C. Roland n

co-author countries: United States of America 🇺🇸
MeSH headings : Computational Biology; Computer Simulation; Formates / chemistry; Hydrogen / chemistry; Models, Molecular; Oxygen / chemistry; Protons; Solvents / chemistry; Thermodynamics; Time Factors
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Quantum simulations of the structure and binding of glycopeptide antibiotic aglycons to cell wall analogues

JOURNAL OF PHYSICAL CHEMISTRY B, 109(43), 20588–20596.

By: J. Lee n, C. Sagui n & C. Roland n

co-author countries: United States of America 🇺🇸
MeSH headings : Anti-Bacterial Agents / chemistry; Anti-Bacterial Agents / metabolism; Binding Sites; Cell Wall / metabolism; Computer Simulation; Dipeptides; Drug Resistance, Bacterial; Glycopeptides / chemistry; Glycopeptides / metabolism; Models, Molecular; Protein Conformation; Quantum Theory; Staphylococcus aureus / drug effects; Vancomycin / chemistry; Vancomycin / pharmacology
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Black brane world from gravitating half sigma-lump

Journal of High Energy Physics, (1).

By: D. Kim, Y. Kim & J. Lee

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

First principles investigation of vancomycin and teicoplanin binding to bacterial cell wall termini

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 126(27), 8384–8385.

By: J. Lee n, C. Sagui n & C. Roland n

co-author countries: United States of America 🇺🇸
MeSH headings : Alanine / analogs & derivatives; Alanine / metabolism; Anti-Bacterial Agents / metabolism; Anti-Bacterial Agents / pharmacology; Bacteria / drug effects; Bacteria / metabolism; Cell Wall / drug effects; Cell Wall / metabolism; Dipeptides / metabolism; Kinetics; Lactates / metabolism; Teicoplanin / metabolism; Teicoplanin / pharmacology; Thermodynamics; Vancomycin / metabolism; Vancomycin / pharmacology
Source: Web Of Science
Added: August 6, 2018

2003 journal article

An efficient method to compute partial atomic charges of large molecules using reassociation of fragments

Bulletin of the Korean Chemical Society, 24(3), 369–376.

By: J. Lee, H. Jeong & H. Lee

Source: NC State University Libraries
Added: August 6, 2018