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11
of 11 records from author Sehan Lee
2021
Lee, S. AND M. Barron. Application of 3D-QSAR Approaches to Classification and Prediction of Aquatic Toxicity. Chapter 21, Chemometrics and Cheminformatics in Aquatic Toxicology. John Wiley & Sons Inc, Malden, MA, , 417-432, (2021). https://doi.org/10.1002/9781119681397.ch21
2018
Lee, S. AND M. Barron. 3D-QSAR Study of Steroidal and Azaheterocyclic Human Aromatase Inhibitors using Quantitative Profile of Protein-Ligand Interactions. Journal of Cheminformatics. Springer, New York, NY, 10(2):1-13, (2018).
Doering, J., S. Lee, K. Kristiansen, L. Evenseth, M. Barron, I. Sylte, AND C. LaLone. In silico site-directed mutagenesis informs species-specific predictions of chemical susceptibility derived from the Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool. SETAC Europe, Rome, ITALY, May 13 - 16, 2018.
Doering, J., S. Lee, K. Kristiansen, L. Evenseth, M. Barron, I. Sylte, AND C. LaLone. In silico site-directed mutagenesis informs species-specific predictions of chemical susceptibility derived from the Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 166(1):131-145, (2018). https://doi.org/10.1093/toxsci/kfy186
2017
Lee, S. AND M. Barron. Structure-Based Understanding of Binding Affinity and Mode of Estrogen Receptor α Agonists and Antagonists. Presented at American Chemical Society National Meeting and Exposition, San Francisco, CA, April 02 - 06, 2017.
Lee, S. AND M. Barron. Structure-based Understanding of Binding Affinity and Mode of Estrogen Receptor α Agonists and Antagonists. PLOS ONE
. Public Library of Science, San Francisco, CA, 12(1):e0169607, (2017).
2016
Lee, S. AND M. Barron. A Mechanism-based 3D-QSAR Approach for Classification and Prediction of Acetylcholinesterase Inhibitory Potency of Organophosphate and Carbamate Analogs. Journal of Computer-Aided Molecular Design. Springer, New York, NY, 30(4):347-363, (2016).
Lee, S. AND M. Barron. Mechanism-Based Analysis of Acetylcholinesterase Inhibitory Potency of Organophosphates, Carbamates, and Their Analogs. 17th International Conference on QSAR in Environmental and Health Sciences, Miami Beach, FL, June 13 - 17, 2016.
Barron, M. AND S. Lee. The chemistry side of AOP: implications for toxicity extrapolation. SETAC North America 37th Annual Meeting, Orlando, FL, November 06 - 10, 2016.
2015
Lee, S. AND M. Barron. Development of 3D-QSAR model for acetylcholinesterase inhibitors using a combination of fingerprint, molecular docking, and structure-based pharmacophore approaches. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 148(1):60-70, (2015).
Lee, S. AND M. Barron. Development of a 3D-QSAR model for acetylcholinesterase inhibitors using a combination of fingerprint, docking, and structure-based pharmacophore approaches - Conference Abstract. Asiatox 2015, Jeju Island, SOUTH KOREA, June 23 - 26, 2015.