Lee HS - Search Results

1

CHARMM-GUI 10 years for biomolecular modeling and simulation.

Jo S, Cheng X, Lee J, Kim S, Park SJ, Patel DS, Beaven AH, Lee KI, Rui H, Park S, Lee HS, Roux B, MacKerell AD Jr, Klauda JB, Qi Y, Im W. Jo S, et al. Among authors: lee hs, lee j, lee ki. J Comput Chem. 2017 Jun 5;38(15):1114-1124. doi: 10.1002/jcc.24660. Epub 2016 Nov 14. J Comput Chem. 2017. PMID: 27862047 Free PMC article. Review.

2

CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its application.

Jo S, Jiang W, Lee HS, Roux B, Im W. Jo S, et al. Among authors: lee hs. J Chem Inf Model. 2013 Jan 28;53(1):267-77. doi: 10.1021/ci300505n. Epub 2012 Dec 20. J Chem Inf Model. 2013. PMID: 23205773 Free PMC article.

3

CHARMM-GUI micelle builder for pure/mixed micelle and protein/micelle complex systems.

Cheng X, Jo S, Lee HS, Klauda JB, Im W. Cheng X, et al. Among authors: lee hs. J Chem Inf Model. 2013 Aug 26;53(8):2171-80. doi: 10.1021/ci4002684. Epub 2013 Aug 5. J Chem Inf Model. 2013. PMID: 23865552

4

CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues.

Jo S, Cheng X, Islam SM, Huang L, Rui H, Zhu A, Lee HS, Qi Y, Han W, Vanommeslaeghe K, MacKerell AD Jr, Roux B, Im W. Jo S, et al. Among authors: lee hs. Adv Protein Chem Struct Biol. 2014;96:235-65. doi: 10.1016/bs.apcsb.2014.06.002. Epub 2014 Aug 24. Adv Protein Chem Struct Biol. 2014. PMID: 25443960 Free PMC article. Review.

5

CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.

Kim S, Lee J, Jo S, Brooks CL 3rd, Lee HS, Im W. Kim S, et al. Among authors: lee hs, lee j. J Comput Chem. 2017 Jun 5;38(21):1879-1886. doi: 10.1002/jcc.24829. Epub 2017 May 11. J Comput Chem. 2017. PMID: 28497616 Free PMC article.

6

CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates.

Park SJ, Lee J, Qi Y, Kern NR, Lee HS, Jo S, Joung I, Joo K, Lee J, Im W. Park SJ, et al. Among authors: lee hs, lee j. Glycobiology. 2019 Apr 1;29(4):320-331. doi: 10.1093/glycob/cwz003. Glycobiology. 2019. PMID: 30689864 Free PMC article.

7

Stalis: A Computational Method for Template-Based Ab Initio Ligand Design.

Lee HS, Im W. Lee HS, et al. J Comput Chem. 2019 Jun 30;40(17):1622-1632. doi: 10.1002/jcc.25813. Epub 2019 Mar 4. J Comput Chem. 2019. PMID: 30829435 Free PMC article.

8

Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors.

Lee HS, Jo S, Lim HS, Im W. Lee HS, et al. J Chem Inf Model. 2012 Jul 23;52(7):1821-32. doi: 10.1021/ci3000997. Epub 2012 Jul 6. J Chem Inf Model. 2012. PMID: 22731511 Free PMC article.

9

Restricted N-glycan conformational space in the PDB and its implication in glycan structure modeling.

Jo S, Lee HS, Skolnick J, Im W. Jo S, et al. Among authors: lee hs. PLoS Comput Biol. 2013;9(3):e1002946. doi: 10.1371/journal.pcbi.1002946. Epub 2013 Mar 14. PLoS Comput Biol. 2013. PMID: 23516343 Free PMC article.

10

Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase.

Kern NR, Lee HS, Wu EL, Park S, Vanommeslaeghe K, MacKerell AD Jr, Klauda JB, Jo S, Im W. Kern NR, et al. Among authors: lee hs. Biophys J. 2014 Oct 21;107(8):1885-1895. doi: 10.1016/j.bpj.2014.09.007. Biophys J. 2014. PMID: 25418169 Free PMC article.

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