The PreADME Approach: Web-based program for rapid prediction of physico-chemical, drug absorption and drug-like properties SK Lee, IH Lee, HJ Kim, GS Chang, JE Chung, KT No EuroQSAR 2002 Designing Drugs and Crop Protectants: processes, problems and …, 2003 | 247 | 2003 |
Cyclams Bearing Diametrically Disubstituted Pyrenes as Cu2+- and Hg2+-Selective Fluoroionophores SM Park, MH Kim, JI Choe, KT No, SK Chang The Journal of Organic Chemistry 72 (9), 3550-3553, 2007 | 156 | 2007 |
Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 1. Application to neutral molecules as models for polypeptides KT No, JA Grant, HA Scheraga Journal of physical chemistry 94 (11), 4732-4739, 1990 | 148 | 1990 |
Ratiometric Determination of Hg2+ Ions Based on Simple Molecular Motifs of Pyrene and Dioxaoctanediamide JS Kim, MG Choi, KC Song, KT No, S Ahn, SK Chang Organic Letters 9 (6), 1129-1132, 2007 | 145 | 2007 |
Design and synthesis of highly potent fumagillin analogues from homology modeling for a human MetAP-2 CK Han, SK Ahn, NS Choi, RK Hong, SK Moon, HS Chun, SJ Lee, ... Bioorganic & medicinal chemistry letters 10 (1), 39-43, 2000 | 114 | 2000 |
Synthesis, in vitro assay, and molecular modeling of new piperidine derivatives having dual inhibitory potency against acetylcholinesterase and Aβ1–42 aggregation for Alzheimer … YE Kwon, JY Park, KT No, JH Shin, SK Lee, JS Eun, JH Yang, TY Shin, ... Bioorganic & medicinal chemistry 15 (20), 6596-6607, 2007 | 108 | 2007 |
Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 2. Application to ionic and aromatic molecules as models for … KT No, JA Grant, MS Jhon, HA Scheraga Journal of physical chemistry 94 (11), 4740-4746, 1990 | 104 | 1990 |
Three-dimensional structure of Plasmodium falciparum Ca2+-ATPase (PfATP6) and docking of artemisinin derivatives to PfATP6 M Jung, H Kim, KY Nam, KT No Bioorganic & medicinal chemistry letters 15 (12), 2994-2997, 2005 | 96 | 2005 |
Synthesis of amide and urea derivatives of benzothiazole as Raf-1 inhibitor EY Song, N Kaur, MY Park, Y Jin, K Lee, G Kim, KY Lee, JS Yang, ... European journal of medicinal chemistry 43 (7), 1519-1524, 2008 | 93 | 2008 |
Hypnotic effects and GABAergic mechanism of licorice (Glycyrrhiza glabra) ethanol extract and its major flavonoid constituent glabrol S Cho, JH Park, AN Pae, D Han, D Kim, NC Cho, KT No, H Yang, M Yoon, ... Bioorganic & medicinal chemistry 20 (11), 3493-3501, 2012 | 85 | 2012 |
Description of the potential energy surface of the water dimer with an artificial neural network KT No, BH Chang, SY Kim, MS Jhon, HA Scheraga Chemical physics letters 271 (1-3), 152-156, 1997 | 81 | 1997 |
CXXC5 is a negative-feedback regulator of the Wnt/β-catenin pathway involved in osteoblast differentiation HY Kim, JY Yoon, JH Yun, KW Cho, SH Lee, YM Rhee, HS Jung, HJ Lim, ... Cell Death & Differentiation 22 (6), 912-920, 2015 | 75 | 2015 |
An empirical method to calculate average molecular polarizabilities from the dependence of effective atomic polarizabilities on net atomic charge KT No, KH Cho, MS Jhon, HA Scheraga Journal of the American Chemical Society 115 (5), 2005-2014, 1993 | 73 | 1993 |
Stability of like and oppositely charged organic ion pairs in aqueous solution KT No, KY Nam, HA Scheraga Journal of the American Chemical Society 119 (52), 12917-12922, 1997 | 70 | 1997 |
Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models J Mao, J Akhtar, X Zhang, L Sun, S Guan, X Li, G Chen, J Liu, HN Jeon, ... Iscience 24 (9), 2021 | 68 | 2021 |
A polarizable force field for water using an artificial neural network KH Cho, KT No, HA Scheraga Journal of molecular structure 641 (1), 77-91, 2002 | 67 | 2002 |
Quantitative structure-activity relationship (QSAR) study of new fluorovinyloxyacetamides DH Cho, SK Lee, BT Kim, KT No Bulletin of the Korean Chemical Society 22 (4), 388-394, 2001 | 66 | 2001 |
Blue electroluminescence from novel silicon-containing poly (cyanoterephthalylidene) copolymers KD Kim, JS Park, HK Kim, TB Lee, KT No Macromolecules 31 (21), 7267-7272, 1998 | 66 | 1998 |
Predicting ADME properties of chemicals HK Shin, YM Kang, KT No Handbook of computational chemistry 59, 2265-2301, 2017 | 64 | 2017 |
New serotonin 5-HT6 ligands from common feature pharmacophore hypotheses HJ Kim, MR Doddareddy, H Choo, YS Cho, KT No, WK Park, AN Pae Journal of chemical information and modeling 48 (1), 197-206, 2008 | 63 | 2008 |