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
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
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)