| Combining machine learning and pharmacophore-based interaction fingerprint for in silico screening T Sato, T Honma, S Yokoyama Journal of chemical information and modeling 50 (1), 170-185, 2010 | 140 | 2010 |
| A Rac GTPase-activating protein, MgcRacGAP, is a nuclear localizing signal-containing nuclear chaperone in the activation of STAT transcription factors T Kawashima, YC Bao, Y Minoshima, Y Nomura, T Hatori, T Hori, ... Molecular and cellular biology 29 (7), 1796-1813, 2009 | 93 | 2009 |
| Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II K Ogura, T Sato, H Yuki, T Honma Scientific reports 9 (1), 12220, 2019 | 50 | 2019 |
| FMODB: The world’s first database of quantum mechanical calculations for biomacromolecules based on the fragment molecular orbital method D Takaya, C Watanabe, S Nagase, K Kamisaka, Y Okiyama, H Moriwaki, ... Journal of Chemical Information and Modeling 61 (2), 777-794, 2021 | 31 | 2021 |
| Application of support vector machine to three-dimensional shape-based virtual screening using comprehensive three-dimensional molecular shape overlay with known inhibitors T Sato, H Yuki, D Takaya, S Sasaki, A Tanaka, T Honma Journal of chemical information and modeling 52 (4), 1015-1026, 2012 | 30 | 2012 |
| In Silico Functional Profiling of Small Molecules and Its Applications T Sato, Y Matsuo, T Honma, S Yokoyama Journal of medicinal chemistry 51 (24), 7705-7716, 2008 | 27 | 2008 |
| Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase of Trypanosoma brucei brucei EO Balogun, DK Inaoka, T Shiba, C Tsuge, B May, T Sato, Y Kido, T Nara, ... The FASEB Journal 33 (11), 13002-13013, 2019 | 24 | 2019 |
| Identification of novel drug-resistant EGFR mutant inhibitors by in silico screening using comprehensive assessments of protein structures T Sato, H Watanabe, K Tsuganezawa, H Yuki, J Mikuni, S Yoshikawa, ... Bioorganic & medicinal chemistry 20 (12), 3756-3767, 2012 | 15 | 2012 |
| ALK2: a therapeutic target for fibrodysplasia ossificans progressiva and diffuse intrinsic pontine glioma K Sekimata, T Sato, N Sakai Chemical and Pharmaceutical Bulletin 68 (3), 194-200, 2020 | 14 | 2020 |
| Structural basis of activin receptor-like kinase 2 (R206H) inhibition by bis-heteroaryl pyrazole-based inhibitors for the treatment of fibrodysplasia ossificans progressiva … T Sato, K Sekimata, N Sakai, H Watanabe, C Mishima-Tsumagari, ... ACS omega 5 (20), 11411-11423, 2020 | 10 | 2020 |
| Selective inhibitor design for kinase homologs using multiobjective Monte Carlo tree search T Yoshizawa, S Ishida, T Sato, M Ohta, T Honma, K Terayama Journal of Chemical Information and Modeling 62 (22), 5351-5360, 2022 | 9 | 2022 |
| Anthocyanin 5, 3′-aromatic acyltransferase from Gentiana triflora, a structural insight into biosynthesis of a blue anthocyanin K Murayama, M Kato-Murayama, T Sato, T Hosaka, K Ishiguro, T Mizuno, ... Phytochemistry 186, 112727, 2021 | 8 | 2021 |
| A public–private partnership to enrich the development of in silico predictive models for pharmacokinetic and cardiotoxic properties H Komura, R Watanabe, H Kawashima, R Ohashi, M Kuroda, T Sato, ... Drug Discovery Today 26 (5), 1275-1283, 2021 | 8 | 2021 |
| Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents Y Nishigaya, S Takase, T Sumiya, K Kikuzato, T Sato, H Niwa, S Sato, ... Journal of Medicinal Chemistry 66 (6), 4059-4085, 2023 | 5 | 2023 |
| Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva H Yamamoto, N Sakai, S Ohte, T Sato, K Sekimata, T Matsumoto, ... Bioorganic & Medicinal Chemistry Letters 38, 127858, 2021 | 5 | 2021 |
| Design and synthesis of tranylcypromine-derived LSD1 inhibitors with improved hERG and microsomal stability profiles Y Koda, S Sato, H Yamamoto, H Niwa, H Watanabe, C Watanabe, T Sato, ... ACS Medicinal Chemistry Letters 13 (5), 848-854, 2022 | 4 | 2022 |
| Prediction of ligand-induced structural polymorphism of receptor interaction sites using machine learning D Takaya, T Sato, H Yuki, S Sasaki, A Tanaka, S Yokoyama, T Honma Journal of chemical information and modeling 53 (3), 704-716, 2013 | 4 | 2013 |
| Quantitative prediction of hERG inhibitory activities using support vector regression and the integrated hERG dataset in AMED cardiotoxicity database T Sato, H Yuki, T Honma Chem-Bio Informatics Journal 21, 70-80, 2021 | 2 | 2021 |
| Bioisostere Identification by Determining the Amino Acid Binding Preferences of Common Chemical Fragments T Sato, N Hashimoto, T Honma Journal of Chemical Information and Modeling 57 (12), 2938-2947, 2017 | 2 | 2017 |
| BMP-signal-inhibiting compound Y Hashizume, K Sekimata, H Kubota, H Yamamoto, Y Koda, H Koyama, ... US Patent 10,954,216, 2021 | 1 | 2021 |
