Fumi Shima, Yoko Yoshikawa, Yoshiteru Makino, Hirokazu Kubota, Takashi Kawamura, Shigeyuki Matsumoto, Hitomi Yuki, Akira Shibaike, Megumi Okamura, Tomoyo Okada, et al. Small-molecule RAS/RAF Binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against a Broad Spectrum of RAS-driven Cancers. 2024
Yoshinobu Igarashi, Ryosuke Kojima, Shigeyuki Matsumoto, Hiroaki Iwata, Yasushi Okuno, Hiroshi Yamada. Developing a GNN-based AI model to predict mitochondrial toxicity using the bagging method. The Journal of Toxicological Sciences. 2024. 49. 3. 117-126
Hiroaki Iwata, Taichi Nakai, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yasushi Okuno. VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search. Journal of Chemical Information and Modeling. 2023
馬場剛史, 小甲裕一, 佐藤美和, 中川寛之, 宮口郁子, MA Biao, 松本篤幸, 徳久淳師, 大田雅照, 池口満徳, et al. Research on pocket prediction using 3D-CNN. 構造活性相関シンポジウム講演要旨集. 2019. 47th (CD-ROM)
The Enzymes, Vol. 34, Inhibitors of the Ras superfamily G-proteins, Part B / Discovery of Small-Molecule Ras Inhibitors that Display Antitumor Activity by Interfering with Ras・GTP?Effector Interaction
Elsevier Inc. 2013
Lectures and oral presentations (14):
Practical Evaluation of Protein-Compound Interactions with Computational Approaches
(The 97th Annual Meeting of the Japanese Pharmacological Society 2023)
Iterative Data Augmentation of near boundary negative samples Compound-Protein Interaction Prediction
(Intelligent Systems for Molecular Biology/European Conference on Computational Biology (ISMB/ECCB) 2023)
2024/06 - Poster award ChemGLaM: Compound-Protein Interaction Prediction Using Large Language Models
2022/10 - Best poster award Understanding Molecular Mechanism of Drug Off-Target Effect in Tyrosine-Protein Kinase LCK Using Molecular Dynamics Simulation
2022/10 - Best poster award Estimation of Interaction Mechanism in Compound-Protein Interaction Prediction Using Interpretable Deep Learning
2022/06 - Young Scientist Award Deep Learning Extracts Protein Dynamics Information from Cryo-EM map.