Jung-Goo Lee

Code, C., Qiu, D., Solov'yov, I. A., Lee, J.-G., Shin, H.-C., Roland, C., … Jorgensen, T. J. D. (2023, October 26). Conformationally Restricted Glycopeptide Backbone Inhibits Gas-Phase H/D Scrambling between Glycan and Peptide Moieties. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. https://doi.org/10.1021/jacs.3c04068

Nixon, B. T., Mansouri, K., Singh, A., Du, J., Davis, J. K., Lee, J.-G., … Haigler, C. H. (2016). Comparative Structural and Computational Analysis Supports Eighteen Cellulose Synthases in the Plant Cellulose Synthesis Complex. Scientific Reports, 6(1). https://doi.org/10.1038/srep28696

Lee, J. G., Sagui, C., & Roland, C. (2010). Dimerization free energy of Vancomycin-group antibiotics and the cooperative effect: A density functional approach. International Journal of Quantum Chemistry, 110(15), 2894–2902.

Moradi, M., Lee, J. G., Babin, V., Roland, C., & Sagui, C. (2010). Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation. International Journal of Quantum Chemistry, 110(15), 2865–2879.

Lee, J.-G., Lee, Y. S., & Roland, C. (2008). Structural determination of large molecules through the reassembly of optimized fragments. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 27(3), 364–375. https://doi.org/10.1016/j.jmgm.2008.06.004

Odbadrakh, K., Luo, X., Lee, J.-G., Sagui, C., & Roland, C. (2007). 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. https://doi.org/10.1021/jp073042j

Lee, J. G., Asciutto, E., Babin, V., Sagui, C., Darden, T., & Roland, C. (2006). Deprotonation of solvated formic acid: Car-Parrinello and metadynamics simulations. JOURNAL OF PHYSICAL CHEMISTRY B, 110(5), 2325–2331. https://doi.org/10.1021/jp055809i

Lee, J. G., Sagui, C., & Roland, C. (2005). Quantum simulations of the structure and binding of glycopeptide antibiotic aglycons to cell wall analogues. JOURNAL OF PHYSICAL CHEMISTRY B, 109(43), 20588–20596. https://doi.org/10.1021/jp0548117

Kim, D., Kim, Y., & Lee, J. (2004). Black brane world from gravitating half sigma-lump. Journal of High Energy Physics, (1).

Lee, J. G., Sagui, C., & Roland, C. (2004). First principles investigation of vancomycin and teicoplanin binding to bacterial cell wall termini. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 126(27), 8384–8385. https://doi.org/10.1021/ja048645c

Lee, J. G., Jeong, H. Y., & Lee, H. (2003). 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.