Evaluation of Selective COX-2 Inhibition and In Silico Study of Kuwanon Derivatives Isolated from Morus alba SH Baek, S Hwang, T Park, YJ Kwon, M Cho, D Park International Journal of Molecular Sciences 22 (7), 3659, 2021 | 21 | 2021 |
Interaction analysis of the spike protein of delta and omicron variants of SARS-CoV-2 with hACE2 and eight monoclonal antibodies using the fragment molecular orbital method S Hwang, SH Baek, D Park Journal of Chemical Information and Modeling 62 (7), 1771-1782, 2022 | 18 | 2022 |
BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds S Lee, S Hwang, M Seo, KB Shin, KH Kim, GW Park, JY Kim, JS Yoo, ... Phytochemistry 177, 112427, 2020 | 16 | 2020 |
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 | 12 | 2020 |
Classification of dog skin diseases using deep learning with images captured from multispectral imaging device S Hwang, HK Shin, JM Park, B Kwon, MG Kang Molecular & Cellular Toxicology 18 (3), 299-309, 2022 | 11 | 2022 |
Investigation of hot spot region in XIAP inhibitor binding site by fragment molecular orbital method H Lim, X Jin, J Kim, S Hwang, KB Shin, J Choi, KY Nam, KT No Computational and structural biotechnology journal 17, 1217-1225, 2019 | 11 | 2019 |
PreMetabo: An in silico phase I and II drug metabolism prediction platform S Hwang, HK Shin, SE Shin, M Seo, HN Jeon, DE Yim, DH Kim, KT No Drug Metabolism and Pharmacokinetics 35 (4), 361-367, 2020 | 8 | 2020 |
Computational classification models for predicting the interaction of compounds with hepatic organic ion importers H You, K Lee, S Lee, SB Hwang, KY Kim, KH Cho, KT No Drug Metabolism and Pharmacokinetics 30 (5), 347-351, 2015 | 8 | 2015 |
Potent and Selective Inhibitors of Human Monoamine Oxidase A from an Endogenous Lichen Fungus Diaporthe mahothocarpus GS Jeong, PF Hillman, MG Kang, S Hwang, JE Park, SJ Nam, D Park, ... Journal of Fungi 7 (10), 876, 2021 | 5 | 2021 |
Quantitative Structure–Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p‐Xylene Mixtures: Application to Binary and Ternary … YM Kang, Y Jeon, SB Hwang, HK Shin, K Oh, MS Kim, N Kim, H You, ... Bulletin of the Korean Chemical Society 37 (4), 548-555, 2016 | 5 | 2016 |
Incorporation of hydrogen bond angle dependency into the generalized solvation free energy density model S Ma, S Hwang, S Lee, WE Acree Jr, KT No Journal of Chemical Information and Modeling 58 (4), 761-772, 2018 | 4 | 2018 |
ToxSTAR: drug-induced liver injury prediction tool for the web environment HK Shin, HS Chun, S Lee, SM Park, D Park, MG Kang, S Hwang, JH Oh, ... Bioinformatics 38 (18), 4426-4427, 2022 | 2 | 2022 |
Development of an Infinite Dilution Activity Coefficient Prediction Model for Organic Solutes in Ionic Liquids with Modified Partial Equalization Orbital Electronegativity … HN Jeon, HK Shin, S Hwang, KT No ACS omega 6 (23), 15361-15373, 2021 | 2 | 2021 |