Mitsuo Shoji

Mitsuo Shoji

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Mitsuo Shoji

Mitsuo Shoji

Publications by authors named "Mitsuo Shoji"

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23Publications

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First-Principles Study of the Reaction Mechanism of CHO + H on Graphene Surface.

J Phys Chem A 2019 Jul 19;123(26):5633-5639. Epub 2019 Jun 19.

Center for Computational Sciences , University of Tsukuba , 1-1-1 Tennodai , Tsukuba , Ibaraki 305-8577 , Japan.

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http://dx.doi.org/10.1021/acs.jpca.9b02345DOI Listing
July 2019

Spin, Valence, and Structural Isomerism in the S State of the Oxygen-Evolving Complex of Photosystem II as a Manifestation of Multimetallic Cooperativity.

J Chem Theory Comput 2019 Apr 11;15(4):2375-2391. Epub 2019 Mar 11.

Institute for NanoScience Design , Osaka University , Toyonaka , Osaka 560-0043 , Japan.

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http://dx.doi.org/10.1021/acs.jctc.8b01055DOI Listing
April 2019

Photosubstitution Reaction of cis-[Ru(bpy)(CHCN)] and cis-[Ru(bpy)(NH)] in Aqueous Solution via Monoaqua Intermediate.

J Phys Chem A 2019 Apr 13;123(13):2497-2502. Epub 2019 Mar 13.

Center for Computational Sciences , University of Tsukuba , 1-1-1 Tennodai , Tsukuba , Ibaraki 305-8577 , Japan.

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http://dx.doi.org/10.1021/acs.jpca.8b11399DOI Listing
April 2019

Redox Potential-Dependent Formation of an Unusual His-Trp Bond in Bilirubin Oxidase.

Chemistry 2018 Dec 15;24(68):18052-18058. Epub 2018 Nov 15.

Department of Picobiology, Graduate School of Life Science, University of Hyogo, 3-2-1 Koto, Kamigori-cho, Ako-gun, Hyogo, 678-1297, Japan.

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http://dx.doi.org/10.1002/chem.201803798DOI Listing
December 2018

Structural Changes of the Trinuclear Copper Center in Bilirubin Oxidase upon Reduction.

Molecules 2018 Dec 26;24(1). Epub 2018 Dec 26.

Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8578, Japan.

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http://www.mdpi.com/1420-3049/24/1/76
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http://dx.doi.org/10.3390/molecules24010076DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6337666PMC
December 2018

Concerted Mechanism of Water Insertion and O Release during the S to S Transition of the Oxygen-Evolving Complex in Photosystem II.

J Phys Chem B 2018 06 15;122(25):6491-6502. Epub 2018 Jun 15.

Institute for NanoScience Design , Osaka University , Toyonaka , Osaka 560-0043 , Japan.

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http://pubs.acs.org/doi/10.1021/acs.jpcb.8b03465
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http://dx.doi.org/10.1021/acs.jpcb.8b03465DOI Listing
June 2018

Molecular association model of PPARα and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARMα.

Biochem Biophys Res Commun 2018 05 22;499(2):239-245. Epub 2018 Mar 22.

Department of Internal Medicine (Endocrinology and Metabolism), Faculty of Medicine, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8575, Japan; AMED-CREST, Japan Agency for Medical Research and Development, Chiyoda, Tokyo 100-0004, Japan; International Institute for Integrative Sleep Medicine (WPI-IIIS), University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8575, Japan; Life Science Center, Tsukuba Advanced Research Alliance (TARA), University of Tsukuba, Tsukuba 305-8577, Japan. Electronic address:

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https://linkinghub.elsevier.com/retrieve/pii/S0006291X183063
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http://dx.doi.org/10.1016/j.bbrc.2018.03.135DOI Listing
May 2018

Molecular Mechanism of the Reaction Specificity in Threonine Synthase: Importance of the Substrate Conformations.

J Phys Chem B 2017 06 24;121(22):5536-5543. Epub 2017 May 24.

Department of Chemistry, Osaka Medical College , Takatsuki 569-8686, Japan.

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http://dx.doi.org/10.1021/acs.jpcb.7b02932DOI Listing
June 2017

The reaction mechanism of sarcosine oxidase elucidated using FMO and QM/MM methods.

Phys Chem Chem Phys 2017 Apr;19(15):9811-9822

Research Center, TOYOBO Co., Ltd., 2-1-1 Katata, Otsu, Shiga 520-0292, Japan.

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http://dx.doi.org/10.1039/c6cp08172jDOI Listing
April 2017

Molecular mechanisms of substrate specificities of uridinecytidine kinase.

Biophys Physicobiol 2016 8;13:77-84. Epub 2016 Jun 8.

Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan; Center for Computational Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan.

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http://dx.doi.org/10.2142/biophysico.13.0_77DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5042166PMC
June 2016

Catalytic Mechanism of Nitrile Hydratase Subsequent to Cyclic Intermediate Formation: A QM/MM Study.

J Phys Chem B 2016 Apr 23;120(13):3259-66. Epub 2016 Mar 23.

Center for Computational Sciences, University of Tsukuba , 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan.

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http://dx.doi.org/10.1021/acs.jpcb.5b11363DOI Listing
April 2016

Geometric and electronic structures of the synthetic Mn₄CaO₄ model compound mimicking the photosynthetic oxygen-evolving complex.

Phys Chem Chem Phys 2016 Apr;18(16):11330-40

Institute for NanoScience Design, Osaka University, Toyonaka, Osaka 560-0043, Japan and Handairigaku Techno-Research (NPO), Toyonaka, Osaka 560-0043, Japan.

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http://dx.doi.org/10.1039/c5cp07226cDOI Listing
April 2016

Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

Inorg Chem 2016 Jan 30;55(2):502-11. Epub 2015 Dec 30.

The Institute of Scientific and Industrial Research, Osaka University , Ibaraki, Osaka 567-0047, Japan.

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http://dx.doi.org/10.1021/acs.inorgchem.5b02471DOI Listing
January 2016

Strong Coupling between the Hydrogen Bonding Environment and Redox Chemistry during the S2 to S3 Transition in the Oxygen-Evolving Complex of Photosystem II.

J Phys Chem B 2015 Oct 6;119(43):13922-33. Epub 2015 Oct 6.

The Institute of Scientific and Industrial Research, Osaka University , Ibaraki, Osaka 567-0047, Japan.

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http://dx.doi.org/10.1021/acs.jpcb.5b05740DOI Listing
October 2015

Substrate-mediated proton relay mechanism for the religation reaction in topoisomerase II.

J Biomol Struct Dyn 2014 19;32(11):1759-65. Epub 2013 Sep 19.

a Graduate School of Pure and Applied Sciences, University of Tsukuba , Tennodai 1-1-1, Tsukuba , 305-8571 , Japan .

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http://dx.doi.org/10.1080/07391102.2013.834848DOI Listing
May 2015

Long-term survival after resection of metastases in the lungs and larynx originating from sigmoid colon cancer: report of a case.

Fukushima J Med Sci 2014 27;60(1):82-5. Epub 2014 Mar 27.

Department of Surgery, Fujita General Hospital.

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May 2015

Involvement of propionate side chains of the heme in circular dichroism of myoglobin: experimental and theoretical analyses.

J Phys Chem B 2015 Jan 7;119(4):1275-87. Epub 2015 Jan 7.

Research Center for Micro-Nano Technology, Hosei University , Koganei, Tokyo 184-0003, Japan.

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http://dx.doi.org/10.1021/jp5086203DOI Listing
January 2015

Theoretical investigation of the magnetic interactions of Ni9 complexes.

J Phys Chem A 2008 May 5;112(17):4020-8. Epub 2008 Apr 5.

Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka, Osaka 560-0043, Japan.

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http://dx.doi.org/10.1021/jp711525qDOI Listing
May 2008