Kyoung Tai No

Research interests

Publications

• Transformer-Based Molecular Generative Model for Antiviral Drug Design

  Journal of Chemical Information and Modeling · 2023 · 10.1021/acs.jcim.3c00536

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

  Briefings in Bioinformatics · 2022 · 10.1093/bib/bbac285

• Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models

  iScience · 2021 · 10.1016/j.isci.2021.103052

• Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development

  Journal of Cheminformatics · 2020 · 10.1186/s13321-020-0410-3

• Hot spot profiles of SARS-CoV-2 and human ACE2 receptor protein protein interaction obtained by density functional tight binding fragment molecular orbital method

  Scientific Reports · 2020 · 10.1038/s41598-020-73820-8

• Investigation of protein-protein interactions and hot spot region between PD-1 and PD-L1 by fragment molecular orbital method

  Scientific Reports · 2019 · 10.1038/s41598-019-53216-z

• The natural phytochemical dehydroabietic acid is an anti-aging reagent that mediates the direct activation of SIRT1

  Molecular and Cellular Endocrinology · 2015 · 10.1016/j.mce.2015.05.006

• CXXC5 is a negative-feedback regulator of the Wnt/β-catenin pathway involved in osteoblast differentiation

  Cell Death and Differentiation · 2015 · 10.1038/cdd.2014.238

• Structure-Based Design and Synthesis of C-1- and C-4-Modified Analogs of Zanamivir as Neuraminidase Inhibitors

  Journal of Medicinal Chemistry · 2013 · 10.1021/jm3009713

• Hypnotic effects and GABAergic mechanism of licorice (Glycyrrhiza glabra) ethanol extract and its major flavonoid constituent glabrol

  Bioorganic & Medicinal Chemistry · 2012 · 10.1016/j.bmc.2012.04.011

• New Combined Model for the Prediction of Regioselectivity in Cytochrome P450/3A4 Mediated Metabolism

  Journal of Chemical Information and Modeling · 2008 · 10.1021/ci7003576

• Cyclams Bearing Diametrically Disubstituted Pyrenes as Cu2+- and Hg2+-Selective Fluoroionophores

  The Journal of Organic Chemistry · 2007 · 10.1021/jo062516s

• Synthesis of amide and urea derivatives of benzothiazole as Raf-1 inhibitor

  European Journal of Medicinal Chemistry · 2007 · 10.1016/j.ejmech.2007.10.008

• New Serotonin 5-HT6Ligands from Common Feature Pharmacophore Hypotheses

  Journal of Chemical Information and Modeling · 2007 · 10.1021/ci700160t

• Ratiometric Determination of Hg2+ Ions Based on Simple Molecular Motifs of Pyrene and Dioxaoctanediamide

  Organic Letters · 2007 · 10.1021/ol070143r

• Three-dimensional structure of Plasmodium falciparum Ca2+-ATPase(PfATP6) and docking of artemisinin derivatives to PfATP6

  Bioorganic & Medicinal Chemistry Letters · 2005 · 10.1016/j.bmcl.2005.04.041

• A polarizable force field for water using an artificial neural network

  Journal of Molecular Structure · 2002 · 10.1016/s0022-2860(02)00299-5

• Design and synthesis of highly potent fumagillin analogues from homology modeling for a human MetAP-2

  Bioorganic & Medicinal Chemistry Letters · 2000 · 10.1016/s0960-894x(99)00577-6

• Description of the potential energy surface of the water dimer with an artificial neural network

  Chemical Physics Letters · 1997 · 10.1016/s0009-2614(97)00448-x

• Stability of Like and Oppositely Charged Organic Ion Pairs in Aqueous Solution

  Journal of the American Chemical Society · 1997 · 10.1021/ja971260s

• An empirical method to calculate average molecular polarizabilities from the dependence of effective atomic polarizabilities on net atomic charge

  Journal of the American Chemical Society · 1993 · 10.1021/ja00058a056

• Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 1. Application to neutral molecules as models for polypeptides

  The Journal of Physical Chemistry · 1990 · 10.1021/j100374a066

• Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 2. Application to ionic and aromatic molecules as models for polypeptides

  The Journal of Physical Chemistry · 1990 · 10.1021/j100374a067

Current projects

No projects listed.