Y. Shigeta

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Japan

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Professors in Japan Professors in Organic Chemistry Organic Chemistry professors in Japan

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Recent Grants

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Theoretical study on dynamics of metalloproteins from mitochondrial DNA in aging hypothesis

Open Date: 2022-04-01

Close Date: 2024-03-31

Grant: Close

Quantum Bioenergetics for Exploring Dynamics of Metals in Protein

Open Date: 2020-04-01

Close Date: 2022-03-31

Grant: Close

Theoretical analysis of biohydrogenomics

Open Date: 2019-04-01

Close Date: 2021-03-31

Grant: Close

Construction of the development and the theories of the higher order complex photoresponsive molecular systems

Open Date: 2014-07-10

Close Date: 2019-03-31

Grant: Close

Composite spin exciton conversion control by the concerted approach of theory and experiment

Open Date: 2014-07-10

Close Date: 2019-03-31

Articles (21)

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Collaborators (16)

Ryuma SATO

Otsuka Pharmaceutical

JAPAN

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Satoshi Horike

Professor

Kyoto University

JAPAN

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Kowit Hengphasatporn

Assistant Professor

University of Tsukuba

JAPAN

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Lian Duan

University of Tsukuba

JAPAN

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So Hirata

University of Illinois at Urbana-Champaign

UNITED STATES

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Mitsuo Shoji

Professor

University of Tsukuba

JAPAN

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UNITED STATES

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Professor

Osaka University

JAPAN

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Y. Shigeta

Research Interests

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Contact this professor

Recent Grants

Articles (21)

CO2 Fixation and Release Mediated by Carbonate-Based Coordination Polymers

PaCS-Q: Python Toolkits for Path Sampling in MD and QM/MM MD Simulation

Development of an On-DNA Platform Molecule Bearing a Diazidestructure and Its Application to DEL Synthesis

Analysis of the Porcine Reproductive and Respiratory Syndrome Virus Nucleocapsid Interactome

Correction to “Mechanistic Insights into PRRSV Inhibition through CD163–SRCR5 Blockade by PRRSV/CD163-IN-1”

Covariance linkage assimilation method for unobserved data exploration

Infrared and ultraviolet spectroscopic characterization of a key intermediate during DNA repair by (6-4) photolyase

Construction of PROTAC-Mediated Ternary Complex Structure Distribution Profiles Using Extensive Conformational Search

Oligopyrrole-Based Anion-Responsive π-Electronic Systems That Exhibit Anion-Dependent Chiroptical Properties

Investigation of Chemical Properties within Chaperonins in Stabilizing Substrate Protein Conformations Using Biomolecular Environment-Mimicking Model

Finite temperature effects on the structural stability of Si-doped HfO2 using first-principles calculations

Designing Potent α-Glucosidase Inhibitors: A Synthesis and QSAR Modeling Approach for Biscoumarin Derivatives

Sulfonylated Indeno[1,2-c]quinoline Derivatives as Potent EGFR Tyrosine Kinase Inhibitors

Determination of the Association between Mesotrione Sensitivity and Conformational Change of 4-Hydroxyphenylpyruvate Dioxygenase via Free-Energy Analyses

Deprotonation-Induced and Ion-Pairing-Modulated Diradical Properties of Partially Conjugated Pyrrole–Quinone Conjunction

Organocatalytic‐racemization reaction elucidation of aspartic acid by density functional theory

Enantiomeric Excesses of Aminonitrile Precursors Determine the Homochirality of Amino Acids

Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor

Helical Organic and Inorganic Polymers

Development of an Iron(II) Complex Exhibiting Thermal- and Photoinduced Double Proton-Transfer-Coupled Spin Transition in a Short Hydrogen Bond

Characterization of the Geometrical and Electronic Structures of the Active Site and Its Effects on the Surrounding Environment in Reduced High-Potential Iron–Sulfur Proteins Investigated by the Density Functional Theory Approach

Collaborators (16)

Ryuma SATO

Satoshi Horike

Kowit Hengphasatporn

Lian Duan

So Hirata

Mitsuo Shoji

Toshihide Okajima

Yosuke Harashima

Rodney Bartlett

Sotiris S. Xantheas

Ryunosuke Yoshino

Michio Katouda

Akira Uedono

Hayato Sakai

Mauro Boero

Takashi Kubo

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