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J-GLOBAL ID:200901090187356013   Update date: Jan. 28, 2025

SHIGETA Yasuteru

シゲタ ヤステル | SHIGETA Yasuteru
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Affiliation and department:
Job title: Executive Director
Homepage URL  (1): http://www2.ccs.tsukuba.ac.jp/public/shigeta/shigeta_HP/Top_page.html
Research field  (2): Bio-, chemical, and soft-matter physics ,  Basic physical chemistry
Research keywords  (2): 分子動力学 ,  第一原理計算
Research theme for competitive and other funds  (32):
  • 2020 - 2030 量子生命技術の創製と医学・生命科学の革新
  • 2023 - 2028 Science of Meso-Hierarchy
  • 2023 - 2028 Theory of mesohierarchy
  • 2023 - 2026 クライオ電顕による1分子構造解析に基づいた蛋白質構造の連続的なダイナミクスの解析
  • 2020 - 2026 3D ドメインスワッピングを利用したタンパク質の自在配列と機能化
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Papers (508):
  • Natsuki Watanabe, Yu Komatsu, Koichi Miyagawa, Yuta Hori, Yasuteru Shigeta, Mitsuo Shoji. Enantioselective interactions of aminonitrile dimers. Physical Chemistry Chemical Physics. 2025
  • Sirilak Kongkaew, Manussada Ratanasak, Yasuteru Shigeta, Jun-ya Hasegawa, Vudhichai Parasuk. Theoretical investigation of sustainable CO2 electroreduction to high-value products utilizing N-doped/BN-modified Triphenylene-Graphdiyne catalysts. Fuel. 2025
  • Wahyu Fitriana, Takahiro Sakai, Lian Duan, Kowit Hengphasatporn, Yasuteru Shigeta, Tsuyoshi Mashima, Taizo Uda, Emi Hifumi, Shun Hirota. Experimental and Computational Studies on Domain-Swapped Structure Stabilization of an Antibody Light Chain by Disulfide Bond Introduction. Journal of medicinal chemistry. 2024. 67. 24. 22313-22321
  • Yoshino Okamoto, Takunori Yasuda, Rikuri Morita, Yasuteru Shigeta, Ryuhei Harada. Structural Fluctuation in Homodimeric Aminoacyl-tRNA Synthetases Induces Half-of-the-Sites Activity. The Journal of Physical Chemistry B. 2024
  • Elhinnawi, Manar A., Okita, Yukari, Shigematsu, Katsunobu, Abdelaziz, Mohammed, Shiratani, Rie, Kawanishi, Kunio, Hengphasatporn, Kowi, Cao, Thuy Linh Dang, Shigeta, Yasuteru, et al. GPNMB is a novel binding partner of FGFR1 that affects tumorigenic potential through AKT phosphorylation in TNBC. CANCER SCIENCE. 2024. Epub
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MISC (49):
  • 宮地弘幸, 金光佳世子, 石井真由美, 渡邊恵里, 佐藤優希菜, 長田貴行, 山崎祐季, 柏木仁, 菅原満, 周東智, et al. Structure and solubility, passive diffusivity, cell membrane permeability, and P-gp substrate properties of optically active cyclopropane-containing cyclic peptides. 日本薬学会年会要旨集(Web). 2023. 143rd
  • 西岡海人, 出倉駿, 出倉駿, 出倉駿, 堀優太, 重田育照, 森初果. Elucidation of mechanism of anhydrous superprotonic conductivity in 1,2,3-triazolium dihydrogen phosphate single crystal by first-principles calculation. 分子科学討論会講演プログラム&要旨(Web). 2023. 17th
  • 小倉浩樹, 出倉駿, 堀優太, 重田育照, 水野元博, 水野元博, 森初果. Crystal structures and anhydrous proton conductivities of imidazolium and 1,2,4-triazolium methanesulfonates. 日本物理学会講演概要集(CD-ROM). 2023. 78. 1
  • 堀優太, 出倉駿, 井田朋智, 水野元博, 森初果, 重田育照. Proton conduction mechanism for anhydrous imidazolium hydrogen succinate investigated by quantum chemical calculation. 日本化学会春季年会講演予稿集(Web). 2022. 102nd
  • 西岡海人, 出倉駿, 堀優太, 重田育照, 水野元博, 水野元博, 熊井玲児, 森初果. Elucidation of superprotonic conduction mechanism by tautomerism in 1,2,3-triazolium dihydrogen phosphate single crystal. 日本物理学会講演概要集(CD-ROM). 2022. 77. 1
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Patents (5):
  • Information Processing Apparatus and Simulation Method
  • Information Processing Apparatus and Simulation Method
  • 情報処理装置、シミュレーション方法、およびシミュレーションプログ 2. ラム
  • 情報処理装置、指標次元抽出方法、および指標次元抽出プログラム
  • 情報処理、シミュレーションプログラムおよびシミュレーション方法
Books (12):
  • Hydrogenomics: The Science of Fully Utilizing Hydrogen
    共立出版 2023
  • Recent advances of the fragment molecular orbital method Subtitle: Enhanced performance and applicability
    Springer 2021 ISBN:9789811592355
  • Advances in Quantum Chemistry
    2019
  • Quantum Systems in Physics, Chemistry, and Biology: Advances in Concepts and Applications
    2017 ISBN:9783319502540
  • Reference modules in Materials Science and Engineering 2016
    2016
more...
Lectures and oral presentations  (179):
  • 分子クラスターを学習データに用いた機械学習ポテンシャルの凝縮系への適用
    (第47回ケモインフォマティクス討論会)
  • Autism-associated Sparcl1/Hevin mutant has impacts on persistent angiogenesis
    (Society for Neuroscience 2024)
  • トリプルネガティブ乳癌における非転移性メラノーマタンパク質 B に よる腫瘍免疫制御機構
    (第83回日本癌学会学術総会)
  • 機械学習ポテンシャルのための動径分布関数を用いた効率的データサンプリング法
    (第26回理論化学討論会)
  • Theoretical Analysis of Structure, Electronic State, and Function of Metalloproteins by Computational Approach
    (凝縮系の理論化学)
more...
Education (3):
  • 1997 - 2000 Osaka University Graduate School of Science Department of Chemistry
  • 1995 - 1997 Kanazawa University
  • 1991 - 1995 Kanazawa University Faculty of Science Department of Chemistry
Professional career (1):
  • 博士(理学) (大阪大学)
Work history (15):
  • 2023/04 - 現在 University of Tsukuba Headquarter Vice president and Executive director for Research
  • 2019/04 - 現在 National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute Visiting Researcher
  • 2016/04 - 現在 Center for Computational Sciences, University of Tsukuba Division of Life Science Professor
  • 2014/05 - 現在 Osaka University Graduate School of Engineering Sciences Visiting Professor
  • 2018/04 - 2020/03 宇宙航空研究開発機構 宇宙科学研究所 学際科学研究系 客員教授
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Committee career (24):
  • 2021/12 - 現在 日本コンピュータ化学会 役員
  • 2021/04 - 現在 分子科学会 9期運営委員会委員
  • 2019/06 - 現在 理論化学会 幹事(副会長:企画産学連携担当)
  • 2019/04 - 現在 日本化学会 理論化学・情報化学・計算化学ディビジョンレポート 幹事
  • 2019/04 - 現在 日本化学会 理論化学・情報化学・計算化学ディビジョンレポート 幹事(顕彰担当)
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Awards (11):
  • 2023/09 - International Academic Award of the Society for Molecular Science Contribution to the theoretical analysis of triplet-triplet annihilation upconversion mechanisms in solutions and solids
  • 2023/09 - Japan Society for Molecular Science 8th Japan Society for Molecular Science International Investigator Awards
  • 2019/02 - Best Faculty Awards 2018
  • 2017/10 - 22nd QSCP Promising Scientist Award of CMOA Research Award
  • 2017/03 - Royal Chemical Society Outstanding Reviewers for Physical Chemistry Chemical Physics in 2016 論文査読
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Association Membership(s) (8):
Society of Computer Chemistry, Japan ,  Quantum Life Science Society ,  Chemical Society of Japan ,  分子科学会 ,  THE BIOPHYSICAL SOCIETY OF JAPAN ,  理論化学会 ,  PROTEIN SCIENCE SOCIETY OF JAPAN ,  日本化学工学会
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