QM/MM study of the S2 to S3 transition reaction in the oxygen-evolving complex of photosystem II
Shoji, Mitsuo, Isobe, Hiroshi, Yamaguchi, Kizashi
Published in Chemical physics letters (01.09.2015)
Published in Chemical physics letters (01.09.2015)
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Journal Article
Elucidation of a multiple S3 intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted O O bond formation
Yamaguchi, Kizashi, Miyagawa, Koichi, Shoji, Mitsuo, Isobe, Hiroshi, Kawakami, Takashi
Published in Chemical physics letters (01.11.2022)
Published in Chemical physics letters (01.11.2022)
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Journal Article
Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II
Isobe, Hiroshi, Shoji, Mitsuo, Shen, Jian-Ren, Yamaguchi, Kizashi
Published in Inorganic chemistry (19.01.2016)
Published in Inorganic chemistry (19.01.2016)
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Journal Article
pyProGA—A PyMOL plugin for protein residue network analysis
Sladek, Vladimir, Yamamoto, Yuta, Harada, Ryuhei, Shoji, Mitsuo, Shigeta, Yasuteru
Published in PloS one (30.07.2021)
Published in PloS one (30.07.2021)
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Journal Article
The Nature of the Chemical Bonds of High-Valent Transition–Metal Oxo (M=O) and Peroxo (MOO) Compounds: A Historical Perspective of the Metal Oxyl–Radical Character by the Classical to Quantum Computations
Yamaguchi, Kizashi, Isobe, Hiroshi, Shoji, Mitsuo, Kawakami, Takashi, Miyagawa, Koichi
Published in Molecules (Basel, Switzerland) (16.10.2023)
Published in Molecules (Basel, Switzerland) (16.10.2023)
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Journal Article
Spin, Valence, and Structural Isomerism in the S3 State of the Oxygen-Evolving Complex of Photosystem II as a Manifestation of Multimetallic Cooperativity
Isobe, Hiroshi, Shoji, Mitsuo, Suzuki, Takayoshi, Shen, Jian-Ren, Yamaguchi, Kizashi
Published in Journal of chemical theory and computation (09.04.2019)
Published in Journal of chemical theory and computation (09.04.2019)
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Journal Article
Enantiomeric Excesses of Aminonitrile Precursors Determine the Homochirality of Amino Acids
Shoji, Mitsuo, Kitazawa, Yuya, Sato, Akimasa, Watanabe, Natsuki, Boero, Mauro, Shigeta, Yasuteru, Umemura, Masayuki
Published in The journal of physical chemistry letters (06.04.2023)
Published in The journal of physical chemistry letters (06.04.2023)
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Journal Article
Concerted Mechanism of Water Insertion and O2 Release during the S4 to S0 Transition of the Oxygen-Evolving Complex in Photosystem II
Shoji, Mitsuo, Isobe, Hiroshi, Shigeta, Yasuteru, Nakajima, Takahito, Yamaguchi, Kizashi
Published in The journal of physical chemistry. B (28.06.2018)
Published in The journal of physical chemistry. B (28.06.2018)
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Journal Article
Photosubstitution Reaction of cis-[Ru(bpy)2(CH3CN)2]2+ and cis-[Ru(bpy)2(NH3)2]2+ in Aqueous Solution via Monoaqua Intermediate
Kayanuma, Megumi, Shoji, Mitsuo, Shigeta, Yasuteru
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.04.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.04.2019)
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Journal Article
Geometric, electronic and spin structures of the CaMn4O5 catalyst for water oxidation in oxygen-evolving photosystem II. Interplay between experiments and theoretical computations
Yamaguchi, Kizashi, Shoji, Mitsuo, Isobe, Hiroshi, Kawakami, Takashi, Miyagawa, Koichi, Suga, Michihiro, Akita, Fusamichi, Shen, Jian-Ren
Published in Coordination chemistry reviews (15.11.2022)
Published in Coordination chemistry reviews (15.11.2022)
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Journal Article
Specific zinc binding to heliorhodopsin
Hashimoto, Masanori, Miyagawa, Koichi, Singh, Manish, Katayama, Kota, Shoji, Mitsuo, Furutani, Yuji, Shigeta, Yasuteru, Kandori, Hideki
Published in Physical chemistry chemical physics : PCCP (27.01.2023)
Published in Physical chemistry chemical physics : PCCP (27.01.2023)
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Journal Article
Possibility of the right-opened Mn-oxo intermediate (R-oxo(4444)) among all nine intermediates in the S3 state of the oxygen-evolving complex of photosystem II revealed by large-scale QM/MM calculations
Shoji, Mitsuo, Isobe, Hiroshi, Miyagawa, Koichi, Yamaguchi, Kizashi
Published in Chemical physics (01.02.2019)
Published in Chemical physics (01.02.2019)
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Journal Article
Molecular mechanism of a large conformational change of the quinone cofactor in the semiquinone intermediate of bacterial copper amine oxidase
Shoji, Mitsuo, Murakawa, Takeshi, Nakanishi, Shota, Boero, Mauro, Shigeta, Yasuteru, Hayashi, Hideyuki, Okajima, Toshihide
Published in Chemical science (Cambridge) (21.09.2022)
Published in Chemical science (Cambridge) (21.09.2022)
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Journal Article
Theory of chemical bonds in metalloenzymes XXI. Possible mechanisms of water oxidation in oxygen evolving complex of photosystem II
Yamaguchi, Kizashi, Shoji, Mitsuo, Isobe, Hiroshi, Yamanaka, Shusuke, Kawakami, Takashi, Yamada, Satoru, Katouda, Michio, Nakajima, Takahito
Published in Molecular physics (19.03.2018)
Published in Molecular physics (19.03.2018)
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Journal Article
A theoretical study of the formation of glycine via hydantoin intermediate in outer space environment
Kayanuma, Megumi, Kidachi, Kaori, Shoji, Mitsuo, Komatsu, Yu, Sato, Akimasa, Shigeta, Yasuteru, Aikawa, Yuri, Umemura, Masayuki
Published in Chemical physics letters (01.11.2017)
Published in Chemical physics letters (01.11.2017)
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Journal Article