ホーム > 重田 育照/ Shigeta, Yasuteru
重田 育照
Shigeta, Yasuteru
筑波大学 , 理事 University of Tsukuba , Executive Director
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- 可逆性小児急性肝不全の発症機序の解明-治療薬開発に向けた道筋-
2023-12-27
- 量子生命科学会第4回大会 優秀ポスター賞
2022-05-27
庄司 光男 堀 優太
- 凝集したタンパク質を元に戻す分子Hsp104 の構造を解明
2021-05-11
- 1兆分の1秒の時間分解能で液晶分子の動画を観測 -新しい測定・解析手法の確立
2018-02-13
オープンアクセス版の論文は「つくばリポジトリ」で読むことができます。
- 1. Development of an FeII Complex Exhibiting Intermolecular Proton Shifting Coupled Spin Transition. Tianchi Ji; Shengqun Su; Shuqi Wu; Yuta Hori (+9 著者) Osamu Sato Angewandte Chemie (International ed. in English) e202404843 (2024) Semantic Scholar
- 2. Theoretical Study on Molecular Charge Populations of One-Dimensional π-Stacked Multimers in Neutral and Electron Oxidation States Wataru Yoshida; Yasuteru Shigeta; Hiroshi Matsui; Hajime Miyamoto (+1 著者) Yasutaka Kitagawa Bulletin of the Chemical Society of Japan (2024) Semantic Scholar
- 3. Manipulation of photosynthetic energy transfer by vibrational strong coupling Jun-Yu Dong; Yasutaka Kitahama; Takatoshi Fujita; Motoyasu Adachi (+4 著者) Keisuke Goda The Journal of Chemical Physics 160: (2024) Semantic Scholar
- 4. Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery Chuntakaruk, Hathaichanok; Boonpalit, Kajjana; Kinchagawat, Jirame; Nakarin, Fahsai (+6 著者) Hannongbua, Supo Journal of computational chemistry (2024) Semantic Scholar
- 5. Synthesis and biological evaluation of 2'-hydroxychalcone derivatives as AMPK activators. Duy Vu Nguyen; Chatchai Muanprasat; Suchada Kaewin; Kowit Hengphasatporn (+2 著者) Warinthorn Chavasiri Bioorganic chemistry 143: 107048 - 107048 (2023) Semantic Scholar
- 6. Pathological mutations promote proteolysis of mitochondrial tRNA-specific 2-thiouridylase 1 (MTU1) via mitochondrial caseinolytic peptidase (CLPP). Raja Norazireen Raja Ahmad; Long-Teng Zhang; Rikuri Morita; Haruna Tani (+6 著者) Fan-Yan Wei Nucleic acids research (2023) Semantic Scholar
- 7. Structural and thermodynamic insights into antibody light chain tetramer formation through 3D domain swapping. Takahiro Sakai; Tsuyoshi Mashima; Naoya Kobayashi; Hideaki Ogata (+6 著者) Shun Hirota Nature communications 14: 7807 - 7807 (2023) Semantic Scholar
- 8. Assessment of the applicability of the LFC/3D-RISM-SCF scheme for pKa prediction in methanol solutions Ryo Fujiki; Toru Matsui; Yasuteru Shigeta; Norio YoshidaHaruyuki Nakano Chemistry Letters 53: (2023) Semantic Scholar
- 9. The 8-bromobaicalein inhibited the replication of dengue, and Zika viruses and targeted the dengue polymerase Siwaporn Boonyasuppayakorn; Thanaphon Saelee; Thao Nguyen Thanh Huynh; Rita Hairani (+12 著者) Warinthorn Chavasiri Scientific Reports 13: (2023) Semantic Scholar
- 10. A sulfonamide chalcone inhibited dengue virus with a potential target at the SAM-binding site of viral methyltransferase. Van Cao; I Putu Sukanadi; Naphat Loeanurit; Aphinya Suroengrit (+5 著者) Siwaporn Boonyasuppayakorn Antiviral research 220: 105753 - 105753 (2023) Semantic Scholar
- 11. Deciphering the Potential of Multidimensional Carbon Materials for Surface-Enhanced Raman Spectroscopy through Density Functional Theory Xuke Tang; Naoki Kishimoto; Yasutaka Kitahama; Ting-Ting You (+4 著者) Keisuke Goda The Journal of Physical Chemistry Letters (2023) Semantic Scholar
- 12. Structure-yeast α-glucosidase inhibitory activity relationship of 9-O-berberrubine carboxylates. Duy Vu Nguyen; Kowit Hengphasatporn; Ade Danova; Aphinya Suroengrit (+4 著者) Warinthorn Chavasiri Scientific reports 13: 18865 - 18865 (2023) Semantic Scholar
- 13. Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor Takeshi Murakawa; Kazuo Kurihara; Mitsuo Shoji; Naomine Yano (+7 著者) Toshihide Okajima ACS Catalysis 12403 - 12413 (2023) Semantic Scholar
- 14. Development of an Iron(II) Complex Exhibiting Thermal- and Photoinduced Double Proton-Transfer-Coupled Spin Transition in a Short Hydrogen Bond Takumi Nakanishi; Yuta Hori; Yasuteru Shigeta; Hiroyasu Sato (+6 著者) Osamu Sato Journal of the American Chemical Society (2023) Semantic Scholar
- 15. Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches Pojtanadithee, Piyatida; Hengphasatporn, Kowi; Suroengrit, Aphinya; Boonyasuppayakorn, Siwaporn (+11 著者) Thanyada Journal of chemical information and modeling (2023) Semantic Scholar
- 16. A Structural Refinement Technique for Protein-RNA Complexes Based on a Combination of AI-based Modeling and Flexible Docking: A Study of Musashi-1 Protein Nitchakan Darai; Kowit Hengphasatporn; Peter Wolschann; Michael T. Wolfinger (+2 著者) Ryuhei Harada Bulletin of the Chemical Society of Japan 96: 677 - 685 (2023) Semantic Scholar
- 17. Designing Potent α-Glucosidase Inhibitors: A Synthesis and QSAR Modeling Approach for Biscoumarin Derivatives Thi-Hong-Truc Phan; Kowit Hengphasatporn; Yasuteru Shigeta; Wanting Xie (+2 著者) Warinthorn Chavasiri ACS Omega 8: 26340 - 26350 (2023) Semantic Scholar
- 18. 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, RyuheiShigeta, Yasuteru Journal of agricultural and food chemistry 71: 9528 - 9537 (2023) Semantic Scholar
- 19. 1T/1H-SnS2 Sheets for Electrochemical CO2 Reduction to Formate Kawabe, Yusuke; Ito, Yoshikazu; Hori, Yuta; Kukunuri, Suresh (+7 著者) Takahashi, Yasufumi ACS nano 17: 11318 - 11326 (2023)
- 20. Sulfonylated Indeno[1,2-c]quinoline Derivatives as Potent EGFR Tyrosine Kinase Inhibitors Hengphasatporn, Kowi; Aiebchun, Thitinan; Mahalapbutr, Panupong; Auepattanapong, Atima (+6 著者) Thanyada ACS omega 8: 19645 - 19655 (2023) Semantic Scholar
- 1. Hydrogenomics: The Science of Fully Utilizing Hydrogen Hori, Yuta; Nishikawa, Koji; Shigeta, Yasuteru; Higuchi, Yoshiki 共立出版 2023年4月
- 2. Recent advances of the fragment molecular orbital method Subtitle: Enhanced performance and applicability Shigeta, Yasuteru (担当:分担執筆, 範囲:AnalysisFMO toolkit: PyMOL plugin module to 3D-visualize interaction energies in protein (3D-VIEP) generated by fragment molecular orbital calculation) Springer 2021年1月 (ISBN: 9789811592355)
- 3. Recent advances of the fragment molecular orbital method Subtitle: Enhanced performance and applicability Shigeta, Yasuteru (担当:分担執筆, 範囲:AnalysisFMO toolkit: PyMOL plugin module to 3D-visualize interaction energies in protein (3D-VIEP) generated by fragment molecular orbital calculation) Springer 2021年1月 (ISBN: 9789811592355)
- 4. Advances in Quantum Chemistry Shigeta, Yasuteru; Harada, Ryuhei (担当:分担執筆, 範囲:Parallel Cascade Selection Molecular Dynamics Simulations for Transition Pathway Sampling of Biomolecules) 2019年1月
- 5. Quantum Systems in Physics, Chemistry, and Biology: Advances in Concepts and Applications Baba, Takeshi; Kamiya, Katsumasa; Shigeta, Yasuteru (担当:分担執筆, 範囲:Integrated Computational Studies on Mutational Effects of A Nylon-degrading Enzyme) 2017年6月 (ISBN: 9783319502540)
- 6. Reference modules in Materials Science and Engineering 2016 Harada, Ryuhei; Inagaki, Yuji; Shigeta, Yasuteru (担当:分担執筆, 範囲:Protein Folding and Evolution) 2016年6月
- 7. 金属錯体の量子・計算化学 重田,育照; 北河康隆 (担当:分担執筆, 範囲:第4-1章 錯体の伝導性) 2014年10月
- 8. Quantum mechanics Chap. 17 Shigeta,Yasuteru (担当:分担執筆, 範囲:Quantal Cumulant Mechanics as Extended Ehrenfest Theorem) InTech open 2013年4月
- 9. Conceptual and Computational Advances in Quantum Chemistry, Chap. 25 Shigeta,Yasuteru (担当:分担執筆, 範囲:Theoretical Studies on Metal-Containing Artificial DNA Bases”, Advances in the Theory of Atomic and Molecular Systems) Springer 2012年10月
- 10. Advances in the Theory of Atomic and Molecular Systems, Conceptual and Computational Advances in Quantum Chemistry, Chap. 21 Shigeta,Yasuteru (担当:分担執筆, 範囲:Quantum Theory in Terms of Cumulant Variables) Springer 2009年10月
- 11. ADVANCES IN THE THEORY OF ATOMIC AND MOLECULAR SYSTEMS: DYNAMICS, SPECTROSCOPY, CLUSTERS, AND NANOSTRUCTURES Shigeta, Yasuteru; Miyachi, Hideaki; Matsui, Toru; Yokoyama, Norisuke; Hirao, Kimihiko (担当:分担執筆, 範囲:Quantum Theory in Terms of Cumulant Variables) SPRINGER 2009年1月 (ISBN: 9789048129843)
- 12. Challenges and Advances in Computational Chemistry and Physics, Chap. 2 Shigeta,Yasuteru (担当:分担執筆, 範囲:Single-Reference Methods for Excited States in Molecules and Polymers) Springer 2008年10月
- 13. 物性量子化学入門 重田,育照 (担当:分担執筆, 範囲:第13、14章) 講談社 2004年9月
- 161. Computational Studies on Interaction between Viral Proteins and Small Molecules/Protein Shigeta, Yasuteru 10th International Conference on Chemical and Biological Sciences 招待有り
- 162. Computational Studies on Structure-Function of Metalloenzymes Shigeta, Yasuteru The Fourth Asian Workshop for Experiment and Theory in Quantum Beam Molecular Science Sakura Science 招待有り
- 163. Theoretical Studies on Membrane Permeability Shigeta, Yasuteru 24th International Annual Symposium on Computational Science and Engineering (ANSCSE24) 招待有り
- 164. 計算化学と実験の協働による金属タンパク質の構造・機能解析 重田, 育照 CBI2021 第2回量子構造生命科学研究所シンポジウム 招待有り
- 165. 統合的インシリコシミュレーションによる薬物-タンパク質動体解析 重田, 育照 計算を中心としたバイオ分野の筑波大-KEK連携セミナー
- 166. 計算科学に基づく金属タンパク質動態の理論解析 重田, 育照 第21回日本蛋白質科学会, シンポジウムNew frontier in biometal science 招待有り
- 167. 分子性多孔質結晶の多形と溶媒効果 Yamagishi, Hiroshi; 山本洋平; 角田百仁花; 重田育照 第31回基礎有機化学討論会
- 1. 15/228,873: Information Processing Apparatus and Simulation Method
重田, 育照 - 2. 15/228,540: Information Processing Apparatus and Simulation Method
重田,育照 - 3. 2015-156703: 情報処理装置、指標次元抽出方法、および指標次元抽出プログラム
重田,育照 - 4. 2015-156702: 情報処理装置、シミュレーション方法、およびシミュレーションプログ 2. ラム
重田,育照 - 5. 2015-032321: 情報処理、シミュレーションプログラムおよびシミュレーション方法
重田,育照
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