Works (10)

Updated: April 11th, 2023 10:13

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, J. Du*, J. Davis, J. Lee, E. Slabaugh, V. Vandavasi* ...

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.

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
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, X. Luo n, J. Lee, C. Sagui & C. Roland

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, E. Asciutto, V. Babin, C. Sagui, T. Darden n & C. Roland

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, C. Sagui & C. Roland

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, C. Sagui & C. Roland

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