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Kyoung Tai No
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2020 – today
- 2024
- [j23]Jianmin Wang
, Jiashun Mao, Chunyan Li, Hongxin Xiang, Xun Wang, Shuang Wang, Zixu Wang, Yangyang Chen, Yuquan Li, Kyoung Tai No, Tao Song, Xiangxiang Zeng:
Interface-aware molecular generative framework for protein-protein interaction modulators. J. Cheminformatics 16(1): 142 (2024) - [j22]Jiashun Mao
, Jianmin Wang
, Amir Zeb, Kwang-Hwi Cho, Haiyan Jin, Jongwan Kim
, Onju Lee, Yunyun Wang
, Kyoung Tai No
:
Transformer-Based Molecular Generative Model for Antiviral Drug Design. J. Chem. Inf. Model. 64(7): 2733-2745 (2024) - 2022
- [j21]Jianmin Wang
, Yanyi Chu
, Jiashun Mao
, Hyeon-Nae Jeon
, Haiyan Jin, Amir Zeb, Yuil Jang, Kwang-Hwi Cho, Tao Song, Kyoung Tai No:
De novo molecular design with deep molecular generative models for PPI inhibitors. Briefings Bioinform. 23(4) (2022) - [j20]Hocheol Lim, Kyoung Tai No:
Prediction of polyreactive and nonspecific single-chain fragment variables through structural biochemical features and protein language-based descriptors. BMC Bioinform. 23(1): 520 (2022) - 2020
- [j19]Myungwon Seo
, Hyun Kil Shin
, Yoochan Myung
, Sungbo Hwang
, Kyoung Tai No
:
Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development. J. Cheminformatics 12(1): 6 (2020)
2010 – 2019
- 2018
- [j18]Songling Ma
, Jiwon Choi, Xuemei Jin, Hyun-Yi Kim, Jihye Yun, Weontae Lee
, Kang-Yell Choi, Kyoung Tai No
:
Discovery of a small-molecule inhibitor of Dvl-CXXC5 interaction by computational approaches. J. Comput. Aided Mol. Des. 32(5): 643-655 (2018) - [j17]Songling Ma
, Sungbo Hwang
, Se-Han Lee, William E. Acree Jr., Kyoung Tai No
:
Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model. J. Chem. Inf. Model. 58(4): 761-772 (2018) - 2017
- [j16]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, Hoon Ryu, Ae Nim Pae
:
In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level. J. Comput. Aided Mol. Des. 31(10): 877-889 (2017) - [j15]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
:
Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction. J. Comput. Aided Mol. Des. 31(10): 929-941 (2017) - 2016
- [j14]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:
Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist. J. Comput. Aided Mol. Des. 30(8): 625-637 (2016) - 2012
- [j13]Se-Han Lee, Kwang-Hwi Cho, William E. Acree Jr., Kyoung Tai No:
Development of Surface-SFED Models for Polar Solvents. J. Chem. Inf. Model. 52(2): 440-448 (2012) - [j12]Jong Young Joung, Ky-Youb Nam, Kwang-Hwi Cho, Kyoung Tai No:
Ligand Aligning Method for Molecular Docking: Alignment of Property-Weighted Vectors. J. Chem. Inf. Model. 52(4): 984-995 (2012) - 2011
- [j11]Se-Han Lee, Kwang-Hwi Cho, Chang-Joon Lee, Go-Eun Kim, Chul Hee Na, Youngyong In, Kyoung Tai No:
Calculation of the Solvation Free Energy of Neutral and Ionic Molecules in Diverse Solvents. J. Chem. Inf. Model. 51(1): 105-114 (2011)
2000 – 2009
- 2009
- [j10]Doo Nam Kim
, Kwang-Hwi Cho, Wonseok Oh, Chang-Joon Lee, Sungkwang Lee, Jihoon Jung, Kyoung Tai No:
EaMEAD: Activation Energy Prediction of Cytochrome P450 Mediated Metabolism with Effective Atomic Descriptors. J. Chem. Inf. Model. 49(7): 1643-1654 (2009) - [c1]Changwon Keum, Ju Han Kim, Young Soo Song, Kyoung Tai No, Jung Hoon Woo:
GEFERENCE: Reference Database for Construing Personal Genome Expression. BIOCOMP 2009: 434-440 - 2008
- [j9]Hye-Jung Kim, Munikumar Reddy Doddareddy, Hyunah Choo, Yong Seo Cho, Kyoung Tai No, Woo-Kyu Park, Ae Nim Pae:
New Serotonin 5-HT6 Ligands from Common Feature Pharmacophore Hypotheses. J. Chem. Inf. Model. 48(1): 197-206 (2008) - [j8]Wonseok Oh, Doo Nam Kim
, Jihoon Jung, Kwang-Hwi Cho, Kyoung Tai No:
New Combined Model for the Prediction of Regioselectivity in Cytochrome P450/3A4 Mediated Metabolism. J. Chem. Inf. Model. 48(3): 591-601 (2008) - [j7]Jihoon Jung, Nam Doo Kim, Su Yeon Kim, Inhee Choi, Kwang-Hwi Cho, Wonseok Oh, Doo Nam Kim, Kyoung Tai No:
Regioselectivity Prediction of CYP1A2-Mediated Phase I Metabolism. J. Chem. Inf. Model. 48(5): 1074-1080 (2008) - 2007
- [j6]Hyesun Han, Wonseok Oh, Jihoon Jung, Doo Nam Kim, Kyoung Tai No:
In silico prediction system of CYP450-mediated metabolism profile. BMC Syst. Biol. 1(S-1): P23 (2007) - 2005
- [j5]Youngyong In, Han Ha Chai, Kyoung Tai No:
A Partition Coefficient Calculation Method with the SFED Model. J. Chem. Inf. Model. 45(2): 254-263 (2005) - 2002
- [j4]Yeong Suk Kim, Jae Hyun Kim, Jung Sup Kim, Kyoung Tai No:
Prediction of Glass Transition Temperature (Tg) of Some Compounds in Organic Electroluminescent Devices with Their Molecular Properties. J. Chem. Inf. Comput. Sci. 42(1): 75-81 (2002)
1990 – 1999
- 1999
- [j3]Su Hwan Son, Cheol Kyu Han, Soon Kil Ahn, Jeong Hyeok Yoon, Kyoung Tai No:
Development of Three-Dimensional Descriptors Represented by Tensors: Free Energy of Hydration Density Tensor. J. Chem. Inf. Comput. Sci. 39(3): 601-609 (1999) - 1995
- [j2]Je Myung Park, Oh Young Kwon, Kyoung Tai No, Mu Shik Jhon, Harold A. Scheraga:
Determination of Net Atomics Charges Using a Modified Partial Equalization or Orbital Electronegativity Method. IC. Application to Hypervalent Sulfur and Phosphorus-Containing Molecules. J. Comput. Chem. 16(8): 1011-1027 (1995) - 1993
- [j1]Je Myung Park, Kyoung Tai No, Mu Shik Jhon, Harold A. Scheraga:
Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules. J. Comput. Chem. 14(12): 1482-1490 (1993)
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