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Publication

Cryo-EM structures of an anti-MLC1 Fab in apo and peptide-bound states reveal the structural basis of antigen recognition

bioRxiv. October 08, 2025.

doi: 10.1101/2025.10.08.681078

Junmo Hwang,  Kunwoong Park, Jeong-Sun Choi, Tae-Ryong Riew, Kyung-Ok Cho, Kyoung Tai No, Hyun-Ho Lim

High-resolution cryo-EM structures of small protein–ligand complexes near the theoretical size limit

bioRxiv. July 04, 2025.

doi: 10.1101/2025.06.30.662489

Kunwoong Park, Youngki Yoo, Hyunbum Jeon, Kiju Choi, Eunju Kwon, Hyun-Ho Lim, Dong Young Kim, Kyoung Tai No

Structural analyses of gibberellin-mediated DELLA protein degradation

Molecular Plant, Vol. 18, Issue 7, p1210–1221

doi: 10.1101/2025.02.08.637281

Soyaab Islam, KunWoong Park, Eunju Kwon, Dong Young Kim

A Novel Antibody Against the Non-Receptor-Binding Domain Region of Middle East Respiratory Syndrome Coronavirus Spike Protein

The Journal of Infectious Diseases, Vol. 232, Issue 4, p982–992

dol: 10.1093/infdis/jiaf202

Transformer-Based Molecular Generative Model for Antiviral Drug Design

Journal of Chemical Information and Modeling. 2023 June 27

doi: 10.1021/acs.jcim.3c00536

Jiashun Mao, Jianmin Wang, Amir Zeb, Kwang-Hwi Cho, Haiyan Jin, Jongwan Kim, Onju Lee, Yunyun Wang, Kyoung Tai No

Novel bispecific human antibody platform specifically targeting a fully open spike conformation potently neutralizes multiple SARS-CoV-2 variants

Antiviral Research. 2023 Apr 212:105576.

doi:10.1016/j.antiviral.2023.105576.

Ji Woong Kim, Kyun Heo, Hyun Jung Kim, Youngki Yoo, Hyun-Soo Cho, Hui Jeong Jang, Ho-Young Lee, In Young Ko, Ju Rang Woo, Yea Bin Cho, Ji Hyun Lee, Ha Rim Yang, Ha Gyeong Shin, Hye Lim Choi, Kyusang Hwang, Sokho Kim, Hanseong Kim, Kwangrok Chun, Sukmook Lee

Prediction of polyreactive and nonspecific single‑chain fragment variables through structural biochemical features and protein language‑based descriptors

BMC Bioinformatics 23, 520 (2022).

doi: 10.1186/s12859-022-05010-4

Hocheol Lim and Kyoung Tai No

De novo molecular design with deep molecular generative models for PPI inhibitors

Briefings in Bioinformatics. 2022 July 14;23(4):bbac285.

doi: 10.1093/bib/bbac285.

Jianmin Wang, Yanyi Chu, Jiashun Mao, Hyeon-Nae Jeon, Haiyan Jin, Amir Zeb, Yuil Jang, Kwang-Hwi Cho, Tao Song, Kyoung Tai No

Quantum Computational study of chloride attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes

Scientific Reports. 2022 May 06;12(1):7495.

doi: 10.1038/s41598-022-11537-6.

Hocheol Lim, Hyeon-Nae Jeon, June-Koo Rhee, Byungdu Oh, Kyoung Tai No

Identification of Novel Natural Product Inhibitors against Matrix Metalloproteinase 9 Using Quantum Mechanical Fragment Molecular Orbital-Based Virtual Screening Methods

Int. J. Mol. Sci. 2022, 23(8), 4438

doi: 10.3390/ijms23084438

Hocheol Lim, Hansol Hong, Seonik Hwang, Song Ja Kim, Sung Yum Seo and Kyoung Tai No

Evaluation of protein descriptors in computer-aided rational protein engineering tasks and its application in property prediction in SARS-CoV-2 spike glycoprotein

Computational and Structural Biotechnology Journal. 2022 Jan 31;20:788-798.

doi: 10.1016/j.csbj.2022.01.027

Hocheol Lim, Hyeon-Nae Jeon, Seungcheol Lim, Yuil Jang, Taehee Kim, Hyein Cho, Jae-Gu Pan, Kyoung Tai No

Hot Spot Analysis of YAP-TEAD Protein-Protein Interaction Using the Fragment Molecular Orbital Method and Its Application for Inhibitor Discovery

Cancers (Basel). 2021 Aug 23;13(16):4246.

doi: 10.3390/cancers13164246.

Jongwan Kim, Hocheol Lim, Sungho Moon, Seon Yeon Cho, Minhye Kim, Jae Hyung Park, Hyun Woo Park , Kyoung Tai No

PreMetabo: An in silico phase I and II drug metabolism prediction platformy

CDrug Metabolism and Pharmacokinetics. 2020 May 31;35(4):361-367.

doi: 10.1016/j.dmpk.2020.05.007

Sungbo Hwang, Hyun Kil Shin, Seong Eun Shin, Myungwon Seo, Hyeon-Nae Jeon, Da-Eun Yim, Dong-Hyun Kim, Kyoung Tai No

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