重田育照 (Yasuteru Shigeta) - 論文

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

Munei, Yohei, Hengphasatporn, Kowi, Hori, Yuta, Harada, Ryuhei, Shigeta, Yasuteru

Journal of agricultural and food chemistry 71(24) 9528-9537 2023年6月責任著者

Enantioselective Amino Acid interactions in Solution

Watanabe, Natsuki, Shoji, Mitsuo, Miyagawa, Koichi, Hori, Yuta, Boero, Mauro, Umemura, Masayuki, Shigeta, Yasuteru

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25(21) 15023-15029 2023年5月査読有り

Helical Organic and Inorganic Polymers

So Hirata, Yasuteru Shigeta, Sotiris S. Xantheas, Rodney J. Bartlett

The Journal of Physical Chemistry B 2023年4月20日

Enantiomeric Excesses of Aminonitrile Precursors Determine the Homochirality of Amino Acids

Mitsuo Shoji, Yuya Kitazawa, Akimasa Sato, Natsuki Watanabe, Mauro Boero, Yasuteru Shigeta, Masayuki Umemura

The Journal of Physical Chemistry Letters 2023年4月6日

Pocket to concavity: a tool for the refinement of protein-ligand binding site shape from alpha spheres

Kudo, Genki, Hirao, Takumi, Yoshino, Ryunosuke, Shigeta, Yasuteru, Hirokawa, Takatsugu

BIOINFORMATICS 39(4) 2023年4月

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

Watanabe, Natsuki, Hori, Yuta, Shoji, Mitsuo, Boero, Mauro, Shigeta, Yasuteru

CHIRALITY 35(9) 645-651 2023年4月査読有り

In silico screening of chalcones and flavonoids as potential inhibitors against yellow head virus 3C-like protease

Boonthaworn, Kanpong, Hengphasatporn, Kowi, Shigeta, Yasuteru, Chavasiri, Warinthorn, Rungrotmongkol, Thanyada, Ounjai, Puey

PEERJ 11 e15086-e15086 2023年4月

Biological advantage of the arrangements of C-phycocyanin chromophores in phycobilisome from the electronic energy transfer viewpoint

Mishima, Kenji, Shoji, Mitsuo, Umena, Yasufumi, Shigeta, Yasuteru

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 96(4) 381-393 2023年4月査読有り

Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement

Nakanishi, Takumi, Hori, Yuta, Shigeta, Yasuteru, Sato, Hiroyasu, Wu, Shuqi, Kiyanagi, Ryoji, Munakata, Koji, Ohhara, Takashi, Osamu, Sato

Physical Chemistry Chemical Physics 25(17) 12394-12400 2023年4月査読有り

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

Shinya Sugiura, Takashi Kubo, Yohei Haketa, Yuta Hori, Yasuteru Shigeta, Hayato Sakai, Taku Hasobe, Hiromitsu Maeda

Journal of the American Chemical Society 145(14) 8122-8129 2023年3月28日査読有り

Efficient screening of protein-ligand complexes in lipid bilayers using LoCoMock score.

Rikuri Morita, Yasuteru Shigeta, Ryuhei Harada

Journal of computer-aided molecular design 2023年3月21日

Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory

Hori, Yuta, Sato, Ayaka, Yasuteru, Shigeta

The Journal of Computer Chemistry, Japan 21(4) 77-79 2023年3月査読有り責任著者

4-hydroxyphenylpyruvate dioxygenase (HPPD)における金属活性中心の力場パラメータの構築とその評価

宗井, 陽平, 堀, 優太, Kowit, Hengphasatporn, 原田, 隆平, 重田, 育照

The Journal of Computer Chemistry, Japan 21(4) 82-84 2023年3月査読有り責任著者

有機分子触媒を用いたアミノ酸ラセミ化反応の理論的研究

渡辺, 七都稀, 堀, 優太, 庄司, 光男, 重田, 育照

The Journal of Computer Chemistry, Japan 21(4) 80-81 2023年3月査読有り責任著者

X‐ray crystallographic and mutational analysis of the <scp>NylC</scp> precursor: Catalytic mechanism of autocleavage and substrate hydrolysis of nylon hydrolase

Seiji Negoro, Naoki Shibata, Dai‐ichiro Kato, Yusuke Tanaka, Kengo Yasuhira, Keisuke Nagai, Shohei Oshima, Yoko Furuno, Risa Yokoyama, Kaito Miyazaki …

The FEBS Journal 2023年2月17日

Design of electron-donating group substituted 2-PAM analogs as antidotes for organophosphate insecticide poisoning

Nalinee Kongkaew, Kowit Hengphasatporn, Yuwanda Injongkol, Pitchayathida Mee-udorn, Liyi Shi, Panupong Mahalapbutr, Phornphimon Maitarad, Ryuhei Harada, Yasuteru Shigeta, Thanyada Rungrotmongkol …

RSC Advances 13(46) 32266-32275 2023年

New insights into the oxidation process from neutron and X-ray crystal structures of an O₂-sensitive [NiFe]-hydrogenase

Takeshi Hiromoto, Koji Nishikawa, Seiya Inoue, Hideaki Ogata, Yuta Hori, Katsuhiro Kusaka, Yu Hirano, Kazuo Kurihara, Yasuteru Shigeta, Taro Tamada …

Chemical Science 2023年

Free-Energy Profiles for Membrane Permeation of Compounds Calculated Using Rare-Event Sampling Methods

Harada, R., Morita, R., Shigeta, Y.

Journal of Chemical Information and Modeling 63(1) 259-269 2023年

Specific zinc binding to heliorhodopsin

Masanori Hashimoto, Koichi Miyagawa, Manish Singh, Kota Katayama, Mitsuo Shoji, Yuji Furutani, Yasuteru Shigeta, Hideki Kandori

Physical Chemistry Chemical Physics 25(4) 2023年

Lichen-Derived Diffractaic Acid Inhibited Dengue Virus Replication in a Cell-Based System

Naphat Loeanurit, Truong Lam Tuong, Van-Kieu Nguyen, Vipanee Vibulakhaophan, Kowit Hengphasatporn, Yasuteru Shigeta, Si Xian Ho, Justin Jang Hann Chu, Thanyada Rungrotmongkol, Warinthorn Chavasiri …

Molecules 28(3) 2023年1月

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