Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules. - Je Myung Park; Kyoung Tai No; Mu Shik Jhon; Harold A. Scheraga (J. Comput. Chem., 1993)

Determination of Net Atomics Charges Using a Modified Partial Equalization or Orbital Electronegativity Method. IC. Application to Hypervalent Sulfur and Phosphorus-Containing Molecules. - Je Myung Park; Oh Young Kwon; Kyoung Tai No; Mu Shik Jhon; Harold A. Scheraga (J. Comput. Chem., 1995)

Development of Three-Dimensional Descriptors Represented by Tensors: Free Energy of Hydration Density Tensor. - Su Hwan Son; Cheol Kyu Han; Soon Kil Ahn; Jeong Hyeok Yoon; Kyoung Tai No (J. Chem. Inf. Comput. Sci., 1999)

Prediction of Glass Transition Temperature (Tg) of Some Compounds in Organic Electroluminescent Devices with Their Molecular Properties. - Yeong Suk Kim; Jae Hyun Kim; Jung Sup Kim; Kyoung Tai No (J. Chem. Inf. Comput. Sci., 2002)

A Partition Coefficient Calculation Method with the SFED Model. - Youngyong In; Han Ha Chai; Kyoung Tai No (J. Chem. Inf. Model., 2005)

In silico prediction system of CYP450-mediated metabolism profile. - Hyesun Han; Wonseok Oh; Jihoon Jung; Doo Nam Kim; Kyoung Tai No (BMC Syst. Biol., 2007)

Regioselectivity Prediction of CYP1A2-Mediated Phase I Metabolism. - Jihoon Jung; Nam Doo Kim; Su Yeon Kim; Inhee Choi; Kwang-Hwi Cho; Wonseok Oh; Doo Nam Kim; Kyoung Tai No (J. Chem. Inf. Model., 2008)

New Serotonin 5-HT6 Ligands from Common Feature Pharmacophore Hypotheses. - Hye-Jung Kim; Munikumar Reddy Doddareddy; Hyunah Choo; Yong Seo Cho; Kyoung Tai No; Woo-Kyu Park; Ae Nim Pae (J. Chem. Inf. Model., 2008)

New Combined Model for the Prediction of Regioselectivity in Cytochrome P450/3A4 Mediated Metabolism. - Wonseok Oh; Doo Nam Kim; Jihoon Jung; Kwang-Hwi Cho; Kyoung Tai No (J. Chem. Inf. Model., 2008)

GEFERENCE: Reference Database for Construing Personal Genome Expression. - Changwon Keum; Ju Han Kim; Young Soo Song; Kyoung Tai No; Jung Hoon Woo (BIOCOMP, 2009)

EaMEAD: Activation Energy Prediction of Cytochrome P450 Mediated Metabolism with Effective Atomic Descriptors. - Doo Nam Kim; Kwang-Hwi Cho; Wonseok Oh; Chang-Joon Lee; Sungkwang Lee; Jihoon Jung; Kyoung Tai No (J. Chem. Inf. Model., 2009)

Calculation of the Solvation Free Energy of Neutral and Ionic Molecules in Diverse Solvents. - Se-Han Lee; Kwang-Hwi Cho; Chang-Joon Lee; Go-Eun Kim; Chul Hee Na; Youngyong In; Kyoung Tai No (J. Chem. Inf. Model., 2011)

Ligand Aligning Method for Molecular Docking: Alignment of Property-Weighted Vectors. - Jong Young Joung; Ky-Youb Nam; Kwang-Hwi Cho; Kyoung Tai No (J. Chem. Inf. Model., 2012)

Development of Surface-SFED Models for Polar Solvents. - Se-Han Lee; Kwang-Hwi Cho; William E. Acree Jr.; Kyoung Tai No (J. Chem. Inf. Model., 2012)

Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist. - Nam-Chul Cho; Seoung-Hwan Seo; Dohee Kim; Ji-Sun Shin; Jeongmin Ju; Jihye Seong; Seon Hee Seo; Iiyoun Lee; Kyung-Tae Lee; Yun Kyung Kim; Kyoung Tai No; Ae Nim Pae (J. Comput. Aided Mol. Des., 2016)

In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level. - Insun Park; Yu Jin Hwang; TaeHun Kim; Ambily Nath Indu Viswanath; Ashwini M. Londhe; Seo Yun Jung; Kyoung Mi Sim; Sun-Joon Min; Ji Eun Lee; Jihye Seong; Yun Kyung Kim; Kyoung Tai No; et al. (J. Comput. Aided Mol. Des., 2017)

Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction. - Insun Park; Ashwini M. Londhe; Ji Woong Lim; Beoung-Geon Park; Seo Yun Jung; Jae Yeol Lee; Sang Min Lim; Kyoung Tai No; Jiyoun Lee; Ae Nim Pae (J. Comput. Aided Mol. Des., 2017)

Discovery of a small-molecule inhibitor of Dvl-CXXC5 interaction by computational approaches. - Songling Ma; Jiwon Choi; Xuemei Jin; Hyun-Yi Kim; Jihye Yun; Weontae Lee; Kang-Yell Choi; Kyoung Tai No (J. Comput. Aided Mol. Des., 2018)

Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model. - Songling Ma; Sungbo Hwang; Se-Han Lee; William E. Acree Jr.; Kyoung Tai No (J. Chem. Inf. Model., 2018)

Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development. - Myungwon Seo; Hyun Kil Shin; Yoochan Myung; Sungbo Hwang; Kyoung Tai No (J. Cheminformatics, 2020)

De novo molecular design with deep molecular generative models for PPI inhibitors. - Jianmin Wang 016; Yanyi Chu; Jiashun Mao; Hyeon-Nae Jeon; Haiyan Jin; Amir Zeb; Yuil Jang; Kwang-Hwi Cho; Tao Song 001; Kyoung Tai No (Briefings Bioinform., 2022)

Prediction of polyreactive and nonspecific single-chain fragment variables through structural biochemical features and protein language-based descriptors. - Hocheol Lim; Kyoung Tai No (BMC Bioinform., 2022)

Transformer-Based Molecular Generative Model for Antiviral Drug Design. - Jiashun Mao; Jianmin Wang 016; Amir Zeb; Kwang-Hwi Cho; Haiyan Jin; Jongwan Kim; Onju Lee; Yunyun Wang; Kyoung Tai No (J. Chem. Inf. Model., 2024)

Interface-aware molecular generative framework for protein-protein interaction modulators. - Jianmin Wang 016; Jiashun Mao; Chunyan Li 002; Hongxin Xiang; Xun Wang 010; Shuang Wang; Zixu Wang; Yangyang Chen 006; Yuquan Li; Kyoung Tai No; Tao Song 001; Xiangxiang Zeng (J. Cheminformatics, 2024)