In silico prediction of potential chemical reactions mediated by human enzymes. - Myeong-Sang Yu; Hyang-Mi Lee; Aaron Park; Chungoo Park; Hyithaek Ceong; Ki-Hyeong Rhee; Dokyun Na (BMC Bioinform., 2018)

Computational determination of hERG-related cardiotoxicity of drug candidates. - Hyang-Mi Lee; Myeong-Sang Yu; Sayada Reemsha Kazmi; Seong Yun Oh; Ki-Hyeong Rhee; Myung-Ae Bae; Byung Ho Lee; Dae-Seop Shin; Kwang-Seok Oh; Hyithaek Ceong; Donghyun Lee; Dokyun Na (BMC Bioinform., 2019)

A machine learning-based quantitative model (LogBB_Pred) to predict the blood-brain barrier permeability (logBB value) of drug compounds. - Bilal Shaker; Jingyu Lee; Yunhyeok Lee; Myeong-Sang Yu; Hyang-Mi Lee; Eunee Lee; Hoon-Chul Kang; Kwang-Seok Oh; Hyung Wook Kim; Dokyun Na (Bioinform., 2023)

Autoinhibited Protein Database: a curated database of autoinhibitory domains and their autoinhibition mechanisms. - Daeahn Cho; Hyang-Mi Lee; Ji Ah Kim; Jae Gwang Song; Su-hee Hwang; Bomi Lee; Jinsil Park; Kha Mong Tran; Jiwon Kim; Phuong Ngoc Lam Vo; Jooeun Bae; Teerapat Pimt; et al. (Database J. Biol. Databases Curation, 2024)

hERGBoost: A gradient boosting model for quantitative IC50 prediction of hERG channel blockers. - Myeong-Sang Yu; Jingyu Lee; Yunhyeok Lee; Daeahn Cho; Kwang-Seok Oh; Jidon Jang; Nuong Thi Nong; Hyang-Mi Lee; Dokyun Na (Comput. Biol. Medicine, 2025)