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SEHAN LEE
SEHAN LEE
HITS, Director
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In Silico Site-Directed Mutagenesis Informs Species-Specific Predictions of Chemical Susceptibility Derived From the Sequence Alignment to Predict Across ¡¦
JA Doering, S Lee, K Kristiansen, L Evenseth, MG Barron, I Sylte, ...
Toxicological Sciences 166 (1), 131-145, 2018
422018
Structure-based understanding of binding affinity and mode of estrogen receptor ¥á agonists and antagonists
S Lee, MG Barron
PLoS One 12 (1), e0169607, 2017
422017
A mechanism-based 3D-QSAR approach for classification and prediction of acetylcholinesterase inhibitory potency of organophosphate and carbamate analogs
S Lee, MG Barron
Journal of computer-aided molecular design 30, 347-363, 2016
412016
Development of 3D-QSAR model for acetylcholinesterase inhibitors using a combination of fingerprint, molecular docking, and structure-based pharmacophore approaches
S Lee, MG Barron
Toxicological Sciences 148 (1), 60-70, 2015
292015
Human nephrotoxicity prediction models for three types of kidney injury based on data sets of pharmacological compounds and their metabolites
S Lee, YM Kang, H Park, MS Dong, JM Shin, KT No
Chemical Research in Toxicology 26 (11), 1652-1659, 2013
252013
Calculation of the solvation free energy of neutral and ionic molecules in diverse solvents
S Lee, KH Cho, CJ Lee, GE Kim, CH Na, Y In, KT No
Journal of chemical information and modeling 51 (1), 105-114, 2011
192011
3D-QSAR study of steroidal and azaheterocyclic human aromatase inhibitors using quantitative profile of protein–ligand interactions
S Lee, MG Barron
Journal of Cheminformatics 10, 1-13, 2018
172018
A generalized G-SFED continuum solvation free energy calculation model
S Lee, KH Cho, YM Kang, HA Scheraga, KT No
Proceedings of the National Academy of Sciences 110 (8), E662-E667, 2013
122013
PMFF: development of a physics-based molecular force field for protein simulation and ligand docking
SB Hwang, CJ Lee, S Lee, S Ma, YM Kang, KH Cho, SY Kim, OY Kwon, ...
The Journal of Physical Chemistry B 124 (6), 974-989, 2020
112020
PXR ligand classification model with SFED-weighted WHIM and CoMMA descriptors
SL Ma, JY Joung, S Lee, KH Cho, KT No
SAR and QSAR in Environmental Research 23 (5-6), 485-504, 2012
92012
Development of surface-SFED models for polar solvents
S Lee, KH Cho, WE Acree Jr, KT No
Journal of chemical information and modeling 52 (2), 440-448, 2012
92012
Identification of inhibitor binding hotspots in Acinetobacter baumannii ¥â-ketoacyl acyl carrier protein synthase III using molecular dynamics simulation
Y Ha, M Jang, S Lee, JY Lee, WC Lee, S Bae, J Kang, M Han, Y Kim
Journal of Molecular Graphics and Modelling 100, 107669, 2020
32020
An empirical model for gas phase acidity and basicity estimation
H You, GE Kim, CH Na, S Lee, CJ Lee, KH Cho, Y Akiyama, T Ishida, ...
SAR and QSAR in Environmental Research 25 (2), 91-115, 2014
32014
Application of 3D‐QSAR Approaches to Classification and Prediction of Aquatic Toxicity
S Lee, MG Barron
Chemometrics and Cheminformatics in Aquatic Toxicology, 417-432, 2021
2021
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