Research theme for competitive and other funds (8):
2024 - 2027 フィロウイルスの増殖機構の分子構造基盤の解明と制御法の開発
2024 - 2026 分子構造を基盤としたエボラウイルス治療薬の開発研究
2022 - 2026 Extracting Activities of Protein-Compound Interactions from Dynamics Information Using a Deep Learning Technique
2022 - 2025 Establishing a framework for cryoEM-NMR-combined structural analysis
2023 - 2024 構造情報を基盤としたフィロウイルス治療薬の開発
2017 - 2022 Elucidation of functional mechanism based on the dynamic properties for the ongene products Ras
2014 - 2017 低分子量G蛋白質Rasの翻訳後脂質修飾の役割の構造科学的研究
2014 - 2017 創薬への応用に向けたrasがん遺伝子産物の構造ダイナミクスの分子機構の解明
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Papers (34):
Yusuke Toda, Hiroaki Fujita, Koshiki Mino, Takuto Koyama, Seiji Matsuoka, Toshie Kaizuka, Mari Agawa, Shigeyuki Matsumoto, Akiko Idei, Momoko Nishikori, et al. Synergistic involvement of the NZF domains of the LUBAC accessory subunits HOIL-1L and SHARPIN in the regulation of LUBAC function. Cell Death & Disease. 2024. 15. 11
Atsushi Tokuhisa, Yoshinobu Akinaga, Yoko Sasakura, Kei Terayama, Shigeyuki Matsumoto, Takayuki Kato, Yasushi Okuno. cryoMDM; Molecular simulation Driven structural Matching Approach to Estimate Variety of Atomic Three-dimensional Model Based on Noisy cryoEM Single Particle Images. 2024
Mitsugu Araki, Toru Ekimoto, Kazuhiro Takemura, Shigeyuki Matsumoto, Yunoshin Tamura, Hironori Kokubo, Gert-Jan Bekker, Tsutomu Yamane, Yuta Isaka, Yukari Sagae, et al. Molecular Dynamics Unveils Multiple-Site Binding of Inhibitors with Reduced Activity on the Surface of Dihydrofolate Reductase. Journal of the American Chemical Society. 2024
Mai Suzuki, Ken Uchibori, Tomoko Oh-hara, Yumi Nomura, Ryusei Suzuki, Ai Takemoto, Mitsugu Araki, Shigeyuki Matsumoto, Yukari Sagae, Mutsuko Kukimoto-Niino, et al. A macrocyclic kinase inhibitor overcomes triple resistant mutations in EGFR-positive lung cancer. npj Precision Oncology. 2024
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.