Works (10)

2016 journal article

Comparative structural and computational analysis supports eighteen cellulose synthases in the plant cellulose synthesis complex

Scientific Reports, 6.

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

Source: NC State University Libraries
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

Source: NC State University Libraries
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, J. Lee, C. Sagui & C. Roland

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

2006 journal article

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

Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 110(5), 2325–2331.

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

Source: NC State University Libraries
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, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 109(43), 20588–20596.

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

Source: NC State University Libraries
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: NC State University Libraries
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