| Hot spot profiles of SARS-CoV-2 and human ACE2 receptor protein protein interaction obtained by density functional tight binding fragment molecular orbital method H Lim, A Baek, J Kim, MS Kim, J Liu, KY Nam, JH Yoon, KT No Scientific reports 10 (1), 16862, 2020 | 65 | 2020 |
| Investigation of protein-protein interactions and hot spot region between PD-1 and PD-L1 by fragment molecular orbital method H Lim, J Chun, X Jin, J Kim, JH Yoon, KT No Scientific reports 9 (1), 16727, 2019 | 61 | 2019 |
| Hot spot analysis of YAP-TEAD protein-protein interaction using the fragment molecular orbital method and its application for inhibitor discovery J Kim, H Lim, S Moon, SY Cho, M Kim, JH Park, HW Park, KT No Cancers 13 (16), 4246, 2021 | 29 | 2021 |
| Application of the fragment molecular orbital method to discover novel natural products for prion disease J Choi, HJ Kim, X Jin, H Lim, S Kim, IS Roh, HE Kang, KT No, HJ Sohn Scientific reports 8 (1), 13063, 2018 | 21 | 2018 |
| 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, 2019 | 17 | 2019 |
| Fragment molecular orbital-based variational quantum eigensolver for quantum chemistry in the age of quantum computing H Lim, DH Kang, J Kim, A Pellow-Jarman, S McFarthing, ... Scientific reports 14 (1), 2422, 2024 | 15 | 2024 |
| Evaluation of protein descriptors in computer-aided rational protein engineering tasks and its application in property prediction in SARS-CoV-2 spike glycoprotein H Lim, HN Jeon, S Lim, Y Jang, T Kim, H Cho, JG Pan, KT No Computational and Structural Biotechnology Journal 20, 788-798, 2022 | 14 | 2022 |
| Identification of novel natural product inhibitors against matrix metalloproteinase 9 using quantum mechanical fragment molecular orbital-based virtual screening methods H Lim, H Hong, S Hwang, SJ Kim, SY Seo, KT No International journal of molecular sciences 23 (8), 4438, 2022 | 10 | 2022 |
| Prediction of polyreactive and nonspecific single-chain fragment variables through structural biochemical features and protein language-based descriptors H Lim, KT No BMC bioinformatics 23 (1), 520, 2022 | 8 | 2022 |
| Quantum computational study of chloride attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes H Lim, HN Jeon, JK Rhee, B Oh, KT No Scientific reports 12 (1), 7495, 2022 | 6 | 2022 |
| Development of scoring-assisted generative exploration (SAGE) and its application to dual inhibitor design for acetylcholinesterase and monoamine oxidase B H Lim Journal of Cheminformatics 16 (1), 59, 2024 | 4 | 2024 |
| Development of Scoring-Assisted Generative Exploration (SAGE) and Its Application to Enzyme Inhibitor Design H Lim Pharm. Res. Recent Adv. Trends 5, 145-179, 2024 | 3 | 2024 |
| Inhibition of IRP2-dependent reprogramming of iron metabolism suppresses tumor growth in colorectal cancer J Hwang, A Park, C Kim, CG Kim, J Kwak, B Kim, H Shin, M Ku, J Yang, ... Cell Communication and Signaling 22 (1), 412, 2024 | 2 | 2024 |
| Extension of scoring-assisted generative exploration for ionic liquids (SAGE-IL) and its application to ionic liquid design for CO2 capture H Lim Materials Today Advances 24, 100529, 2024 | 1 | 2024 |
| Intracellular loop in the brain isoforms of anoctamin 2 channels regulates calcium-dependent activation D Lee, H Lim, J Lee, GE Ha, KT No, E Cheong Experimental Neurobiology 32 (3), 133, 2023 | 1 | 2023 |
| Specific interactions of protein-protein interaction between human programmed death 1 (PD-1) and its ligand 1 (PD-L1) with ab initio fragment molecular orbital method HC Lim, JH Chun, SB Hwang, JW Kim, KT No Biophysical Journal 114 (3), 423a, 2018 | 1 | 2018 |
| SAGE-Amine: Generative Amine Design with Multi-Property Optimization for Efficient CO2 Capture H Lim, H Cho, J Kim arXiv preprint arXiv:2503.02534, 2025 | | 2025 |
| Hybrid Quantum Neural Networks with Variational Quantum Regressor for Enhancing QSPR Modeling of CO2-Capturing Amine H Cho, J Kim, H Lim arXiv preprint arXiv:2503.00388, 2025 | | 2025 |
| Development of Drug-Induced Gene Expression Ranking Analysis (DIGERA) and Its Application to Virtual Screening for Poly (ADP-Ribose) Polymerase 1 Inhibitor H Cho, KT No, H Lim International journal of molecular sciences 26 (1), 224, 2024 | | 2024 |
| Development and Evaluation of Indole-Based Phospholipase D Inhibitors for Lung Cancer Immunotherapy D Song, SH Lim, Y Kim, H Lee, T Kim, H Lim, DS Min, G Han Journal of Medicinal Chemistry, 2024 | | 2024 |