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Items: 8


Binding mode analyses and pharmacophore model development for stilbene derivatives as a novel and competitive class of α-glucosidase inhibitors.

Lee Y, Kim S, Kim JY, Arooj M, Kim S, Hwang S, Kim BW, Park KH, Lee KW.

PLoS One. 2014 Jan 21;9(1):e85827. doi: 10.1371/journal.pone.0085827. eCollection 2014.


Molecular dynamics simulations of sonic hedgehog-receptor and inhibitor complexes and their applications for potential anticancer agent discovery.

Hwang S, Thangapandian S, Lee KW.

PLoS One. 2013 Jul 31;8(7):e68271. doi: 10.1371/journal.pone.0068271. Print 2013.


Ligand-based pharmacophore modeling and Bayesian approaches to identify c-Src inhibitors.

Sakkiah S, Arullaperumal V, Hwang S, Lee KW.

J Enzyme Inhib Med Chem. 2014 Feb;29(1):69-80. doi: 10.3109/14756366.2012.753881. Epub 2013 Feb 25.


Identification of blocker binding site in mouse TRESK by molecular modeling and mutational studies.

Kim S, Lee Y, Tak HM, Park HJ, Sohn YS, Hwang S, Han J, Kang D, Lee KW.

Biochim Biophys Acta. 2013 Mar;1828(3):1131-42. doi: 10.1016/j.bbamem.2012.11.021. Epub 2012 Nov 27.


Comparative molecular modeling study of Arabidopsis NADPH-dependent thioredoxin reductase and its hybrid protein.

Lee Y, Kim S, Lazar P, Moon JC, Hwang S, Thangapandian S, Shon Y, Lee KO, Lee SY, Lee KW.

PLoS One. 2012;7(9):e46279. doi: 10.1371/journal.pone.0046279. Epub 2012 Sep 27.


Computational studies of novel chymase inhibitors against cardiovascular and allergic diseases: mechanism and inhibition.

Arooj M, Thangapandian S, John S, Hwang S, Park JK, Lee KW.

Chem Biol Drug Des. 2012 Dec;80(6):862-75. doi: 10.1111/cbdd.12006.


3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors.

Arooj M, Thangapandian S, John S, Hwang S, Park JK, Lee KW.

Int J Mol Sci. 2011;12(12):9236-64. doi: 10.3390/ijms12129236. Epub 2011 Dec 12.


Discovery and evaluation of potential sonic hedgehog signaling pathway inhibitors using pharmacophore modeling and molecular dynamics simulations.

Hwang S, Thangapandian S, Lee Y, Sakkiah S, John S, Lee KW.

J Bioinform Comput Biol. 2011 Dec;9 Suppl 1:15-35.


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