Rchr
J-GLOBAL ID:200901023471427339   Update date: Feb. 24, 2021

Shoji Mitsuo

ショウジ ミツオ | Shoji Mitsuo
Affiliation and department:
Job title: Assistant Professor
Research field  (1): 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  (3):
  • 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
  • 2020 - 2022 自然・半導体・分子触媒で利用可能な多様な水分解反応機構の解明
  • 酵素反応機構の解明、生物無機化学、分子動力学、分子磁性、多核金属錯体、可視化プログラム(Makiko)
Papers (99):
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MISC (11):
  • 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, Journal of the Chemical Society - Faraday Transactions, Journal of the Chemical Society, Faraday Transactions I, Transactions of the Faraday Society, Journal of the Chemical Society, Faraday Transactions 1: Physical・・・. 2016. 18. 16. 11330-11340
  • Hiroshi Isobe, Mitsuo Shoji, Jian-Ren Shen, Kizashi Yamaguchi. Strong coupling between hydrogen bonding environment and redox chemistry during S2 to S3 transition in oxygen-evolving complex of photosystem II. J. Phys. Chem. 2015. 119. 43. 13922-13933
  • Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Yasufumi Umena, Keisuke Kawakami, Nobuo Kamiya, Jian-Ren Shen, Takahito Nakajima, Kizashi Yamaguchi. Large-scale QM/MM calculations of hydrogen bonding networks for proton transfer and water inlet channels for water oxidation-Theoretical system models of the oxygen-evolving complex of Photosystem II. Advances in Quantum Chemistry. 2015. 70. 325-413
  • Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Yasufumi Umena, Keisuke Kawakami, Nobuo Kamiya, Jian-Ren Shen, Takahito Nakajima, Kizashi Yamaguchi. Theoretical modeling of biomolecular systems I. Large scale QM/MM calculations of hydrogen bonding networks of oxygen evolving complex of Photosystem II. Mol. Phys. 2015. 113. 359-384
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Books (2):
  • フリーソフトで始める分子モデリング
    Amazon Kindle direct publishing 2020
  • A practical introduction to quantum chemical calculations with Gaussian16
    Amazon Kindle direct publishing 2019
Lectures and oral presentations  (41):
  • 酸化型[NiFe]ヒドロゲナーゼの活性中心についての理論的研究
    (量子生命科学会 第二回大会 2020)
  • GLAS アルゴリズムによる酵素反応機構の新規解明
    (第33回分子シミュレーション討論会 2019)
  • Elucidation of the Entire Kok Cycle of the Photosynthetic Water Oxidation Using QM/MM Calculations
    (3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 2019)
  • Role of Valine 185 in the Oxygen-Evolving Complex of Photosystem II Revealed by QM/MM Calculations
    (ISF-3 Young 2019)
  • Reaction mechanism of water splitting in photosystem II revealed by QM/MM calculations
    (11th symposium on Discovery, Fusion, Creation of New Knowledge by Multidisciplinary Computational Sciences, CCS International Symposium 2019 2019)
more...
Professional career (1):
  • 博士(理学) (大阪大学)
Association Membership(s) (7):
The Molecular Simulation Society of Japan ,  Chemical Society of Japan ,  Society of Computer Chemistry, Japan ,  The Japanese Biochemical Society ,  THE BIOPHYSICAL SOCIETY OF JAPAN ,  PROTEIN SCIENCE SOCIETY OF JAPAN ,  理論化学研究会
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