SHOJI Mitsuo

ショウジミツオ | SHOJI Mitsuo

Affiliation and department：
Job title： Professor

Research field (2)： Basic physical chemistry , Bio-, chemical, and soft-matter physics

Research keywords (5)：分子磁性 , 多核金属錯体 , 生物無機化学 , 反応機構の理論解明 , 酵素反応

Research theme for competitive and other funds (16)：

2022 - 2027 Elucidation of the mechanisms for light-induced water-splitting and light energy utilization in photosynthesis
2022 - 2026 XFEL-SFXによる化学反応解明を目指した「反応追跡結晶」の構築
2020 - 2024 分子シミュレーションによるタンパク質化学反応ダイナミクスの解明
2019 - 2024 時分割実験のための多様な反応誘起システムの開発
2019 - 2023 生体内量子多体系における特異的化学反応の機構解明

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Papers (181)：

Natsuki Watanabe, Yuta Hori, Hiroki Sugisawa, Tomonori Ida, Mitsuo Shoji, Yasuteru Shigeta. A machine learning potential construction based on radial distribution function sampling. Journal of Computational Chemistry. 2024
Sugimoto, Teppei, Miyagawa, Koichi, SHOJI, Mitsuo, Katayama, Kota, Shigeta, Yasuteru, Kandori, Hideki. Calcium binding mechanism in TAT rhodopsin. The Journal of Physical Chemistry Part B. 2024. 128. 29. 7102-7111
Basudev Maity, Mitsuo Shoji, Fangjia Luo, Takanori Nakane, Satoshi Abe, Shigeki Owada, Jungmin Kang, Kensuke Tono, Rie Tanaka, Thuc Toan Pham, et al. Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nature Communications. 2024. 15. 1
Kumagai, Yugo, Takabe, Risa, Nakazono, Takashi, Shoji, Mitsuo, Isobe, Hiroshi, Yamaguchi, Kizashi, Misawa-Suzuki, Tomoyo, Nagao, Hirotaka, Wada, Tohru. Water oxidation utilizing a ruthenium complex featuring a phenolic moiety inspired by the oxygen-evolving centre (OEC) of photosystem II. SUSTAINABLE ENERGY & FUELS. 2024. 8. 5. 905-913
Chen, Qingwen, Yamada, Takeshi, Miyagawa, Koichi, Murata, Asako, Shoji, Mitsuo, Nakatani, Kazuhiko. A new small molecule DoNA binding to CAG repeat RNA. BIOORGANIC & MEDICINAL CHEMISTRY. 2024. 98. 117580

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MISC (44)：

Kizashi Yamaguchi, Mitsuo Shoji, Hiroshi Isobe, Takashi Kawakami, Koichi Miyagawa, Michihiro Suga, Fusamichi Akita, Jian-Ren Shen. Geometric, electronic and spin structures of the CaMn4O5 catalyst for water oxidation in oxygen-evolving photosystem II. Interplay between experiments and theoretical computations. COORDINATION CHEMISTRY REVIEWS. 2022. 471
Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Yasufumi Umena, Keisuke Kawakami, Nobuo Kamiya, Kizashi Yamaguchi. Theoretical Elucidation of Geometrical Structures of the CaMn4O5 Cluster in Oxygen Evolving Complex of Photosystem II Scope and Applicability of Estimation Formulae of Structural Deformations via the Mixed-Valence and Jahn-Teller Effects. QUANTUM SYSTEMS IN PHYSICS, CHEMISTRY AND BIOLOGY - THEORY, INTERPRETATION, AND RESULTS. 2019. 78. 307-451
田中弥, 田中弥, 庄司光男, 庄司光男, 友池史明, 氏家謙, 花岡恭平, 原田隆平, 栢沼愛, 栢沼愛, et al. ウリジンシチジンキナーゼの基質特異性の理論的解明. 分子シミュレーション討論会講演要旨集. 2016. 30th
Hiroshi Isobe, Mitsuo Shoji, Jian-Ren Shen, Kizashi Yamaguchi. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II. Inorganic chemistry. 2016. 55. 2. 502-511
Mitsuo Shoji, Hiroshi Isobe, Jian-Ren Shen, Kizashi Yamaguchi. Geometric and electronic structures of the synthetic Mn4CaO4 model compound mimicking the photosynthetic oxygen-evolving complex. Physical chemistry chemical physics : PCCP. 2016. 18. 16. 11330-11340

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Books (5)：

ADVANCES IN QUANTUM CHEMISTRY, VOL 84
ELSEVIER ACADEMIC PRESS INC 2021 ISBN:9780128238776
環境技術
2020
量子化学計算ビギナーズガイド
環境技術, 環境技術学会 2020
Gaussian16で始める量子化学超入門
Amazon Kindle direct publishing 2020
フリーソフトで始める分子モデリング
Amazon Kindle direct publishing 2020

Lectures and oral presentations (91)：

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)
Overview of our research collaborations performed in the research area of “molecular movies”
(高速分子動画国際シンポジウム2023)
QM/MM Free energy simulation for the catalytic reaction of bacterial copper amine oxidase
(The 61st Annual Meeting of the Biophysical Society of Japan)
QM/MM study of the reaction mechanism of sesamin biosynthesis by cytochrome P450
(ICCP450-JSSS)
Origin of homochirality of amino acids
(ICPAC Bali 2023)

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Work history (1)：

2019/10 - 2023/03 JST さきがけ研究員(兼任)

Committee career (1)：

2024/04 - 2026/03 理論化学フロンティア編集委員

Awards (4)：

2023/05 - 量子生命科学会量子生命科学会研究奨励賞量子生命科学に関連する研究において顕著な業績を挙げた
2022/05 - Best Presentation
2021/09 - Best Presentation
2020/12 - 量子生命科学会量子生命科学会第二回大会優秀発表賞 (口頭発表) 銅含有アミン酸化酵素のプロトン化状態についてのQM/MM解析

Association Membership(s) (8)：

量子生命科学会 , The Molecular Simulation Society of Japan , 理論化学研究会 , THE BIOPHYSICAL SOCIETY OF JAPAN , Chemical Society of Japan , PROTEIN SCIENCE SOCIETY OF JAPAN , The Japanese Biochemical Society , Society of Computer Chemistry, Japan

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