Zobrazeno 1 - 10
of 31
pro vyhledávání: '"SeHan, Lee"'
Autor:
Sehan Lee, Mace G. Barron
Publikováno v:
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-13 (2018)
Abstract Aromatase is a member of the cytochrome P450 superfamily responsible for a key step in the biosynthesis of estrogens. As estrogens are involved in the control of important reproduction-related processes, including sexual differentiation and
Externí odkaz:
https://doaj.org/article/11de3ba0488b4fb5844eac4a08cd9866
Autor:
Sehan Lee, Mace G. Barron
Publikováno v:
Chemometrics and Cheminformatics in Aquatic Toxicology. :417-432
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e0b9e737a9ca0ba67bbdf33dda459135
https://doi.org/10.1002/9781119681397.ch21
https://doi.org/10.1002/9781119681397.ch21
Autor:
Sehan Lee, Mace G Barron
Publikováno v:
PLoS ONE, Vol 12, Iss 1, p e0169607 (2017)
The flexible hydrophobic ligand binding pocket (LBP) of estrogen receptor α (ERα) allows the binding of a wide variety of endocrine disruptors. Upon ligand binding, the LBP reshapes around the contours of the ligand and stabilizes the complex by co
Externí odkaz:
https://doaj.org/article/0977be7c64bc498abfdc3173a653805e
Publikováno v:
Journal of Chemical Information and Modeling. 58:761-772
To describe the physically realistic solvation free energy surface of a molecule in a solvent, a generalized version of the solvation free energy density (G-SFED) calculation method has been developed. In the G-SFED model, the contribution from the h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4647451cf06f7f75ed6285b3e1ca59d5
https://doi.org/10.1021/acs.jcim.7b00410
https://doi.org/10.1021/acs.jcim.7b00410
Autor:
Sehan Lee, Mace G. Barron
Publikováno v:
Journal of Computer-Aided Molecular Design. 30:347-363
Organophosphate (OP) and carbamate esters can inhibit acetylcholinesterase (AChE) by binding covalently to a serine residue in the enzyme active site, and their inhibitory potency depends largely on affinity for the enzyme and the reactivity of the e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cb64aaf67ade23f0896a9d5194ecd5d
https://doi.org/10.1007/s10822-016-9910-7
https://doi.org/10.1007/s10822-016-9910-7
Autor:
Woo Cheol Lee, Seri Bae, Jihee Kang, Jee-Young Lee, Yuna Ha, Mihee Jang, Minwoo Han, Yangmee Kim, Sehan Lee
Publikováno v:
Journal of Molecular Graphics and Modelling. 100:107669
Acinetobacter baumannii is a gram-negative bacterium that is rapidly developing drug resistance due to the abuse of antibiotics. The emergence of multidrug-resistant A. baumannii has greatly contributed to the urgency of developing new antibiotics. P
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d536c7e4a5c107571e9e8bfbf3d1c1c9
https://doi.org/10.1016/j.jmgm.2020.107669
https://doi.org/10.1016/j.jmgm.2020.107669
Autor:
Ingebrigt Sylte, Linn Samira Mari Evenseth, Sehan Lee, Mace G. Barron, Carlie A. LaLone, Jon A. Doering, Kurt Kristiansen
Publikováno v:
Toxicological sciences : an official journal of the Society of Toxicology. 166(1)
Human and ecological hazard assessment of chemicals requires the extrapolation of toxicities measured in a small number of laboratory model species to species of concern. The Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4367d3d72892826ebffb4dbe7f6b2ef1
https://pubmed.ncbi.nlm.nih.gov/30060110
https://pubmed.ncbi.nlm.nih.gov/30060110
Autor:
Sehan Lee, Mace G. Barron
Publikováno v:
Toxicological Sciences. 148:60-70
Acetylcholinesterase (AChE), a serine hydrolase vital for regulating the neurotransmitter acetylcholine in animals, has been used as a target for drugs and pesticides. With the increasing availability of AChE crystal structures, with or without ligan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01d011f09384a26c411bac97ab337ec9
https://doi.org/10.1093/toxsci/kfv160
https://doi.org/10.1093/toxsci/kfv160
Autor:
Lin Taizhe, Min-Hwan Jeon, Sehan Lee, Craig Huffman, Jin Yong Lee, Kyong-nam Kim, Baotao Kang, Wei Han, JeaHoo Jeon, Sungjoo Lee, Geun Young Yeom
Publikováno v:
ACS Applied Materials & Interfaces. 7:15892-15897
Two-dimensional (2D) metal dichalcogenides like molybdenum disulfide (MoS2) may provide a pathway to high-mobility channel materials that are needed for beyond-complementary metal-oxide-semiconductor (CMOS) devices. Controlling the thickness of these
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e853feb3a176e97f23b2d8d671ce817
https://doi.org/10.1021/acsami.5b03491
https://doi.org/10.1021/acsami.5b03491
Publikováno v:
Journal of Sol-Gel Science and Technology. 67:105-111
Structural, optical, and photovoltaic properties of copper-oxide (CuxO) thin films formed by using a sol–gel method were investigated. X-ray diffraction patterns showed that the CuxO films prepared utilizing Cu(I) acetate or Cu(II) acetate and anne
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::935824419f0427eff12cd77e7d23f5bc
https://doi.org/10.1007/s10971-013-3055-0
https://doi.org/10.1007/s10971-013-3055-0