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/vufind/Search/Results?lookfor=%22Lee%2C+Sehan%22&type=Person&filter%5B%5D=NOT+collection%3AEPA
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PubPharm (28)
1
Identification of inhibitor binding hotspots in Acinetobacter baumannii β-ketoacyl acyl carrier protein synthase III using molecular dynamics simulation
enthalten in:
Journal of molecular graphics & modelling
| 2020
von
Ha, Y.
|
Jang, M.
|
Lee, S.
| +6
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2
PMFF : Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking
enthalten in:
The journal of physical chemistry. B
| 2020
von
Hwang, S.
|
Lee, C.
|
Lee, S.
| +18
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3
In Silico Site-Directed Mutagenesis Informs Species-Specific Predictions of Chemical Susceptibility Derived From the Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) Tool
enthalten in:
Toxicological sciences : an official journal of the Society of Toxicology
| 2018
von
Doering, J.
|
Lee, S.
|
Kristiansen, K.
| +4
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4
Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model
enthalten in:
Journal of chemical information and modeling
| 2018
von
Ma, S.
|
Hwang, S.
|
Lee, S.
| +2
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5
A Self-Powered Sensor Mimicking Slow- and Fast-Adapting Cutaneous Mechanoreceptors
enthalten in:
Advanced materials (Deerfield Beach, Fla.)
| 2018
von
Chun, K.
|
Son, Y.
|
Jeon, E.
| +2
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6
3D-QSAR study of steroidal and azaheterocyclic human aromatase inhibitors using quantitative profile of protein-ligand interactions
enthalten in:
Journal of cheminformatics
| 2018
von
Lee, S.
|
Barron, M.
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7
3D-QSAR study of steroidal and azaheterocyclic human aromatase inhibitors using quantitative profile of protein–ligand interactions
enthalten in:
Journal of cheminformatics
| 2018
von
Lee, S.
|
Barron, M.
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8
3D-QSAR study of steroidal and azaheterocyclic human aromatase inhibitors using quantitative profile of protein–ligand interactions
enthalten in:
Journal of cheminformatics
| 2018
von
Lee, S.
|
Barron, M.
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9
Structure-Based Understanding of Binding Affinity and Mode of Estrogen Receptor α Agonists and Antagonists
enthalten in:
PloS one
| 2017
von
Lee, S.
|
Barron, M.
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10
A mechanism-based 3D-QSAR approach for classification and prediction of acetylcholinesterase inhibitory potency of organophosphate and carbamate analogs
enthalten in:
Journal of computer-aided molecular design
| 2016
von
Lee, S.
|
Barron, M.
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Thema
17
Journal Article
11
Research Support, Non-U.S. Gov't
8
3D-QSAR
5
3D-fingerprint
4
Acetylcholinesterase inhibitor
4
Mechanism-based
4
Molecular docking
4
Pharmacophore
3
Acetylcholinesterase
3
Adverse outcome pathway
3
Aromatase inhibitor
3
Azaheterocycle
3
Dual descriptor
3
EC 3.1.1.7
3
Hydrophobic contact
3
Nitrogen–heme–iron coordination
3
Research Support, U.S. Gov't, Non-P.H.S.
3
Steroid
2
Cholinesterase Inhibitors
2
Insecticides
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2
2020-
22
2010-2019
4
2000-2009
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22
Englisch
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