庄司 光男(ショウジ ミツオ)
- 論文
- Role of the Propionic Acid Side-Chain of C-Phycocyanin Chromophores in the Excited States for the Photosynthesis Process
Mishima Kenji; Shoji Mitsuo; Umena Yasufumi; Boero Mauro...
Bulletin of the Chemical Society of Japan/93(12)/pp.1509-1519, 2020 - Reaction mechanism of N-cyclopropylglycine oxidation by monomeric sarcosine oxidase
Shoji Mitsuo; Abe Yukihiro; Boero Mauro; Shigeta Yasuter...
PHYSICAL CHEMISTRY CHEMICAL PHYSICS/22(29)/pp.16552-16561, 2020-08 - First-Principles Study of the Reaction Mechanism of CHO + H on Graphene Surface
Kayanuma Megumi; Shoji Mitsuo; Furuya Kenji; Kamiya Kats...
The Journal of Physical Chemistry A/123(26)/pp.5633-5639, 2019-06 - Reaction Mechanism of Monomeric Sarcosine Oxidase with N-Cyclopropylglycine
Shoji Mitsuo; Abe Y.; Boero M.; Shigeta Y.; Y. Nishida
Physical Chemistry Chemical Physics, 2020-05 - Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing
Murakawa T.; Kurihara K.; Shoji Mitsuo; Shibazaki C.; Sun...
Proceedings of the National Academy of Sciences of the United States of America/117(20)/pp.10818-10824, 2020-04 - Domain-based local pair natural orbital CCSD (T) calculations of strongly correlated electron systems: Examination of dynamic equilibrium models based on multiple intermediates in S1 state of photosystem II
庄司 光男
Molecular Physics, 2019-09 - Domain-based local pair natural orbital CCSD (T) calculations of six different S1 structures of oxygen evolving complex of photosystem II. Proposal of multi-intermediate models for the S1 state
Shoji Mitsuo
Chemical Physics Letters/732/p.136660, 2019-10 - Domain-based local pair natural orbital CCSD (T) calculations of fourteen different S2 intermediates for water oxidation in the Kok cycle of OEC of PSII. Re-visit to one LS-two HS model for the S2 state
Shoji Mitsuo
Chemical Physics Letters/734/p.136731, 2019-11 - Reaction of threonine synthase with the substrate analogue 2-amino-5-phosphonopentanoate: Implications into the proton transfer at the active site
Machida Yasuhiro; Murakawa Takeshi; Sakai Akiko; Shoji M...
Journal of biochemistry/167(4)/pp.357-364, 2019-11 - Elucidation of the entire Kok cycle for photosynthetic water oxidation by the large-scale quantum mechanics/molecular mechanics calculations: Comparison with the experimental results by the recent serial femtosecond crystallography
Shoji Mitsuo; Isobe Hiroshi; Shen Jian-Ren; Suga Mich...
CHEMICAL PHYSICS LETTERS/730/pp.416-425, 2019-09 - 特集光化学系II酸素発生中心にあたって
庄司 光男
アンサンブル : 分子シミュレーション研究会会誌/20(4)/pp.222-222, 2018-10 - 光化学系ＩＩ酸素発生中心の反応機構
庄司 光男
アンサンブル : 分子シミュレーション研究会会誌/20(4)/pp.238-242, 2018-10 - Relative stability between the manganese hydroxide- and oxo-models for water oxidation by CCSD, DMRG CASCI, CASSCF, CASPT2 and CASDFT methods; Importance of static and dynamical electron correlation effects for OEC of PSII
Shoji Mitsuo; Kawakami Takashi; Miyagawa Kouichi; Isobe ...
CHEMICAL PHYSICS LETTERS/705/pp.85-91, 2018-08 - First-Principles Study of the Reaction Mechanism of CHO + H on Graphene Surface
Kayanuma Megumi; Shoji Mitsuo; Furuya Kenji; Kamiya K...
The journal of physical chemistry. A/123(26)/pp.5633-5639, 2019-07 - Molecular association model of PPARα and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARMα
Yamamoto Yuta; Takei Kenta; Arulmozhiraja Sundaram; Slade...
Biochemical and biophysical research communications, 2018-05 - 分子動力学シミュレーションによる不凍タンパク質RiAFPの氷の結晶成長に及ぼす影響の解析
木間塚政人; 佐藤竜馬; 原田隆平; 庄司 光男; 重田 育照
Journal of Computer Chemistry Japan/17(5)/pp.222-224, 2019-03 - Reaction mechanism of non-enzymatic stereoselective formation of wine lactone
Kyan Akane; Kayanuma Megumi; Shoji Mitsuo; Shigeta Ya...
CHEMICAL PHYSICS LETTERS/725/pp.114-118, 2019-06 - Effects of Antifreezing Protein from Rhagium inquisitor Binding on Ice Growth: A Molecular Dynamics Study
Kimatsuka Masato; Sato Ryuma; Harada Ryuhei; Shoji Mitsu...
CHEMISTRY LETTERS/48(3)/pp.223-226, 2019-03 - Theoretical and computational investigations of geometrical, electronic and spin structures of the CaMn O (X=5, 6) cluster in the Kok cycle S (i=0-3) of oxygen evolving complex of photosystem II
Yamaguchi Kizashi; Yamanaka Shusuke; Isobe Hiroshi; Sh...
Physiologia plantarum/166(1:::SI)/pp.44-59, 2019-03 - Spin, Valence, and Structural Isomerism in the S State of the Oxygen-Evolving Complex of Photosystem II as a Manifestation of Multimetallic Cooperativity
Isobe Hiroshi; Shoji Mitsuo; Suzuki Takayoshi; Shen J...
Journal of chemical theory and computation/15(4)/pp.2375-2391, 2019-04 - 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
The journal of physical chemistry. A/123(13)/pp.2497-2502, 2019-03 - Structural Changes of the Trinuclear Copper Center in Bilirubin Oxidase upon Reduction
Tokiwa Takaki; Shoji Mitsuo; Sladek Vladimir; Shibata Na...
Molecules (Basel, Switzerland)/24(1), 2019-01 - Concerted bond switching mechanism coupled with one-electron transfer for the oxygen-oxygen bond formation in the oxygen-evolving complex of photosystem II
Shoji Mitsuo; Isobe Hiroshi; Yamaguchi Kizashi
CHEMICAL PHYSICS LETTERS/714/pp.219-226, 2019-01 - Theoretical study of the photodissociation reaction of methanol
Kayanuma Megumi; Shoji Mitsuo; Furuya Kenji; Aikawa Y...
CHEMICAL PHYSICS LETTERS/714/pp.137-142, 2019-01 - Possibility of the right-opened Mn-oxo intermediate (R-oxo(4444)) among all nine intermediates in the S-3 state of the oxygen-evolving complex of photosystem II revealed by large-scale QM/MM calculations
Shoji Mitsuo; Isobe Hiroshi; Miyagawa Koichi; Yamaguch...
CHEMICAL PHYSICS/518/pp.81-90, 2019-02 - さらに表示...
- Role of the Propionic Acid Side-Chain of C-Phycocyanin Chromophores in the Excited States for the Photosynthesis Process