Ishida Toyokazu 石田豊和

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ISHIDA Toyokazu 石田豊和

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Researcher Number	70443166
Affiliation (Current)	2025: 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員
Affiliation (based on the past Project Information) *help	2017 – 2023: 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員 2015 – 2016: 国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センター, 主任研究員 2014: 独立行政法人産業技術総合研究所, ナノ材料研究部門, 主任研究員 2014: 独立行政法人産業技術総合研究所, ナノシステム研究部門, 研究員 2012 – 2013: 独立行政法人産業技術総合研究所, ナノシステム研究部門, 研究班長/主任研究員 … More 2011: 独立行政法人産業技術総合研究所, ナノシステム研究部門, 研究員 2011: 産業技術総合研究所, 計算科学, 研究員 2008 – 2009: National Institute of Advanced Industrial Science and Technology, 計算科学研究部門, 研究員 2007: National Institute of Advanced Industrial Science and Technology, 計算科学研究部門, 研究員 Less
Review Section/Research Field	Principal Investigator Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related Except Principal Investigator Structural biochemistry
Keywords	Principal Investigator 自由エネルギー計算 / QM/MM計算 / 分子動力学計算 / 電子状態計算 / バイオマス分解酵素 / 基底状態不安定化 / 酵素反応 / Glycoside hydrolase(GH) / キシラナーゼ（Xylanase） / Glycoside hydrolase (GH) … More / 酵素反応機構 / アミノ酸変異 / 糖鎖認識 / 構造－機能相関 / ab initio QM/MM計算 / 生体内化学反応理論 / 酵素機能改変 / 反応遷移状態/中間体 / 複合シミュレーション / 基質不安定化 / グリコシル化反応 / 基質歪み / キシラナーゼ (Xylanase) / 理論計算化学 / 血液型糖鎖 / ノロウィルス / 糖鎖認識機構 / 分子間相互作用 / キャプシドタンパク質 / レクチン / 理論化学 / オロチジンーリン酸脱炭酸酵素 / 生体分子シミュレーション / 相互作用エネルギー解析 / 遷移状態安定化 / オロチジン一リン酸脱炭酸酵素 / FMO 法 / ODCase / 基質認識 / 酸素反応 / FMO法 / MM法 / Chorismate Mutase / FMO計算 / 分子動カ学計算 / MM計算 / QM / 分子動力学 / 電子状態 / 生体化学反応論 … More Except Principal Investigator OMPDCase / OMPDC / 酵素反応機構 / ODCase / 結晶構造 / 酵素反応 / X線結晶構造解析 / 国際情報交換 / X線結晶構造 / 計算機シミュレーション / 高分解能結晶構造 / 結晶構造解析 / 脱炭酸反応 / 基質の歪み / タンパク質X線結晶構造解析 / 酵素基質複合体 / 蛋白質X線結晶構造解析 / 基質構造の歪み / 反応中間体構造 / X線結晶解析 Less

Theoretical research on the ground state destabilization hypothesis in enzymatic reactionsPrincipal Investigator
- Principal Investigator
  
  石田豊和
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Computational modeling and analysis of glycosyl hyrolases : reaction mechanism and catalytic designPrincipal Investigator
- Principal Investigator
  
  Toyokazu ISHIDA
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Computational research for development of mechanistic principle in carbohydrate binding proteins: molecular recognition and catalytic mechanismPrincipal Investigator
- Principal Investigator
  
  ISHIDA TOYOKAZU
- Project Period (FY)
  2014 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Elucidation of catalytic mechanism of two characteristic enzymes and its application based on crystal structures.
- Principal Investigator
  
  FUJIHASHI Masahiro
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Structural biochemistry
- Research Institution
  Kyoto University
Mechanistic principle of protein functions: computational approach based on the free energy analysesPrincipal Investigator
- Principal Investigator
  
  ISHIDA Toyokazu
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Investigation of the reaction mechanism of orotidine monophosphate decarboxylase using the distortion of the substrate
- Principal Investigator
  
  FUJIHASHI Masahiro
- Project Period (FY)
  2010 – 2011
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Structural biochemistry
- Research Institution
  Kyoto University
Theoretical Analysis of Enzymatic Functions based on Hybrid-Computational ModelingPrincipal Investigator
- Principal Investigator
  
  ISHIDA Toyokazu
- Project Period (FY)
  2007 – 2009
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  National Institute of Advanced Industrial Science and Technology

[Book] The Fragment Molecular Orbital Method : Practical Applications to Large Molecular Systems2009
- Author(s)
  Toyokazu Ishida
- Total Pages
  24
- Publisher
  Modeling Protein Environment in an Enzymatic Catalysis : A Case Study of the Chorismate Mutase Reaction
- Data Source
  KAKENHI-PROJECT-19750021
[Book] Modeling Protein Environment in an Enzymatic Catalysis: A Case Study of the Chorismate Mutase Reaction"、Book chapter in "The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems2009
- Author(s)
  Toyokazu Ishida
- Publisher
  Taylor & Francis group
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Insight into the Catalytic Mechanism of GH11 Xylanase: Computational Analysis of Substrate Distortion Based on a Neutron Structure2020
- Author(s)
  Toyokazu Ishida*, Jerry M. Parks, and Jeremy C. Smith*
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 142 Issue: 42 Pages: 17966-17980
- DOI
  10.1021/jacs.0c02148
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05052
[Journal Article] Computational analysis of carbohydrate recognition based on hybrid QM/MM modeling: a case study of norovirus capsid protein in complex with Lewis antigen2018
- Author(s)
  Ishida Toyokazu
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 7 Pages: 4652-4665
- DOI
  10.1039/c7cp07701g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26410031
[Journal Article] Computational modeling of carbohydrate recognition in protein complex2017
- Author(s)
  Ishida Toyokazu
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 1906 Pages: 030021-030021
- DOI
  10.1063/1.5012300
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26410031
[Journal Article] 大規模量子計算を基礎とした酵素反応研究の現状と今後の展望2013
- Author(s)
  石田豊和
- Journal Title
  
  生物物理
  
  Volume: 53 巻 Pages: 326-327
- NAID
  10031203613
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550035
[Journal Article] Substrate Distortion Contributes to the Catalysis of Orotidine 5′-Monophosphate Decarboxylase2013
- Author(s)
  藤橋雅宏、石田豊和、黒田新悟、Lakshmi P. Kotra, Emil F. Pai, 三木邦夫
- Journal Title
  
  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
  
  Volume: 135巻 Issue: 46 Pages: 17432-17443
- DOI
  10.1021/ja408197k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550035, KAKENHI-PROJECT-24570130
[Journal Article] 複合シミュレーション手法によるタンパク質機能の分子シミュレーション2012
- Author(s)
  石田豊和
- Journal Title
  
  アンサンブル
  
  Volume: 14 巻 Pages: 32-39
- NAID
  130004566722
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550035
[Journal Article] タンパク質機能の分子シミュレーション: 基質認識と酵素反応2011
- Author(s)
  石田豊和
- Journal Title
  
  化学と工業
  
  Volume: ６４巻 Pages: 626-626
- NAID
  10029282496
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550035
[Journal Article] タンパク質機能の分子シミュレーション : 基質認識と酵素反応2011
- Author(s)
  石田豊和
- Journal Title
  
  化学と工業
  
  Volume: 64 巻 Pages: 626-626
- NAID
  10029282496
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550035
[Journal Article] Computational Model ing of Carbohydrate-Recognition Process in E-Selectin Complex: Structural Mapp ing of Sialyl Lewis X onto Ab Initio QM /MM Free Energy Surface2010
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  The Journal o f Physical Chemistry B vol.114、no.11
  
  Pages: 3950-3964
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Effects of Point Mutation on Enzymatic Activity: Correlation between Protein Electronic Structure and Motion in Chorismate Mutase Reaction2010
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  Journal of the American Chemical Society vol.132、no.20
  
  Pages: 7104-7118
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Effects of Point Mutation on Enzymatic Activity : Correlation between Protein Electronic Structure and Motion in Chorismate Mutase Reaction2010
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  Journal of the American Chemical Society 132(In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Computational Modeling of Carbohydrate-Recognition Process in E-Selectin Complex : Structural Mapping of Sialyl Lewis X onto Ab Initio QM/MM Free Energy Surface2010
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  The Journal of Physical Chemistry B 114
  
  Pages: 3950-3964
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Toward Accurate Modeling of Enzymatic Reactions : All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase2008
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  AIP Conference Proceedings : SELECTED PAPERS FROM ICNAAM 2007 AND ICCMSE 2007 1046
  
  Pages: 7-10
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Toward Accurate Modeling of Enzymatic Reactions: All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase2008
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  AIP Conference Proceedings: SELECTED PAPERS FROM ICNAAM 2007 AND ICCMSE 2007 vol.1046
  
  Pages: 40734-40734
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Probing Protein Environment in an Enzymatic Process : All-Electron Quantum Chemical Analysis combined with ab initio Quantum Mechanical / Molecular Mechanical Modeling of Chorismate Mutase2008
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  JOURNAL OF CHEMICAL PHYSICS 129
  
  Pages: 125105-125105
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Probing Protein Environment in an Enzymatic Process: All-Electron Quantum Chemical Analysis combined with ab initio Quantum Mechanical / Molecular Mechanical Modeling of Chorismate Mutase2008
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  Journal of Chemical Physics vol.129、no.12
  
  Pages: 125105-125105
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Journal Article] Towazd Accurate Modeling of Enzymatic Reactions:All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase
- Author(s)
  Toyokazu Ishida
- Journal Title
  
  Recent Advances in Computational Sciences & Engineering (In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 酵素反応における基底状態不安定化仮説：バイオマス分解酵素 GH11-Xylanase の反応機構について2024
- Author(s)
  石田豊和、Jerry M. Parks, Jeremy C. Smith
- Organizer
  日本化学会第104 春季年会（2024）
- Data Source
  KAKENHI-PROJECT-22K05045
[Presentation] 中性子構造と理論計算化学に基づくバイオマス分解酵素（GH11 Xylanase）の反応機構解明2023
- Author(s)
  石田豊和、Jerry M. Parks, Jeremy C. Smith
- Organizer
  第２３回日本蛋白質科学会年会
- Data Source
  KAKENHI-PROJECT-22K05045
[Presentation] Theoretical Insight into Catalytic Mechanism of GH11 Xylanase: ab initio QM/MM Modeling based on Neutron Structure2023
- Author(s)
  石田豊和、Jerry M. Parks, Jeremy C. Smith
- Organizer
  TACC 2023 in Sapporo
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K05045
[Presentation] 酵素反応における基底状態不安定化仮説の検証：GH11-Xylanase を例として2023
- Author(s)
  石田豊和、Jerry M. Parks, Jeremy C. Smith
- Organizer
  第１７回分子科学討論会 2023大阪
- Data Source
  KAKENHI-PROJECT-22K05045
[Presentation] 中性子構造と複合シミュレーション解析に基づく GH11 Xylanase の酵素活性機構2022
- Author(s)
  石田豊和、Jerry M. Parks、Jeremy C. Smith
- Organizer
  第24回理論化学討論会
- Data Source
  KAKENHI-PROJECT-22K05045
[Presentation] バイオマス分解酵素（Xylanase）の反応機構2021
- Author(s)
  Toyokazu Ishida, Jerry M. Parks, Jeremy C. Smith
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K05052
[Presentation] バイオマス分解酵素の触媒機構2020
- Author(s)
  Toyokazu Ishida, Jerry M. Parks, Jeremy C. Smith
- Organizer
  日本化学会第100 春季年会（2020）
- Data Source
  KAKENHI-PROJECT-18K05052
[Presentation] バイオマス分解酵素の反応機構2019
- Author(s)
  Toyokazu Ishida, Jerry M. Parks, Jeremy C. Smith
- Organizer
  第33回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-18K05052
[Presentation] Computational analysis of carbohydrate recognition mechanism in proteins （計算科学によるタンパク質の糖鎖認識機構の解析）2019
- Author(s)
  石田豊和
- Organizer
  The 9th NTChem WorkShop
- Invited
- Data Source
  KAKENHI-PROJECT-18K05052
[Presentation] Computational analysis of carbohydrate recognition based on hybrid QM/MM approach（複合分子モデリング技術による糖鎖認識機構の解析）2019
- Author(s)
  石田豊和
- Organizer
  日本化学会第99春季年会 (2019)
- Data Source
  KAKENHI-PROJECT-18K05052
[Presentation] Computational Analysis of Carbohydrate Recognition based on ab initio QM/MM Modeling2018
- Author(s)
  石田豊和
- Organizer
  ICPAC Langkawi 2018　(International Congress on Pure & Applied Chemistry Langkawi)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05052
[Presentation] Computational modeling of carbohydrate recognition in protein complex2017
- Author(s)
  石田豊和
- Organizer
  Modeling Interactions in Biomolecules VIII (WATOC2017 SATELLITE)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] Computational modeling of carbohydrate recognition in proteins2017
- Author(s)
  石田豊和
- Organizer
  13th International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] Computational Modeling of Protein Functions: Molecular Recognition and Enzymatic Catalysis2016
- Author(s)
  石田豊和
- Organizer
  The 4th International Symposium for Young Chemists on Stimuli- Responsive Chemical Species for the Creation of Functional Molecules
- Place of Presentation
  大阪大学（吹田キャンパス）サントリーメモリアルホール
- Year and Date
  2016-12-12
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] Computational modeling of carbohydrate recognition in norovirus capsid protein with lewis antigen2015
- Author(s)
  石田豊和、久保田智巳、白土東子
- Organizer
  Pacifichem 2015 : International Chemical Congress of Pacific Basin Societies
- Place of Presentation
  HAWAII CONVENTION CENTER
- Year and Date
  2015-12-17
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] ノロウィルスキャプシドタンパク質の糖鎖認識における糖鎖構造依存性2015
- Author(s)
  石田豊和、久保田智巳、白土東子
- Organizer
  第9回分子科学討論会 2015東京
- Place of Presentation
  東京工業大学大岡山キャンパス
- Year and Date
  2015-09-19
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] ノロウィルスキャプシドタンパク質と血液型糖鎖抗原との糖鎖認識機構2015
- Author(s)
  石田豊和、久保田智巳、白土東子
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学(豊中キャンパス)　大阪大学会館
- Year and Date
  2015-05-21
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] ノロウィルスキャプシドタンパク質とルイス抗原との糖鎖認識:計算科学による相互作用解析2015
- Author(s)
  石田豊和、久保田智巳、白土東子
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  徳島市あわぎんホール
- Year and Date
  2015-06-25
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] Computational Modeling of Enzymatic Function: Effects of Substrate Distortion in ODCase Reaction2014
- Author(s)
  石田豊和、藤橋雅宏
- Organizer
  19th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP XIX)
- Place of Presentation
  Tamsui, Taipei, Taiwan
- Year and Date
  2014-11-15
- Invited
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] タンパク質機能の分子シミュレーション2014
- Author(s)
  石田豊和
- Organizer
  第6回産総研ナノシステム連携促進フォーラム
- Place of Presentation
  秋葉原コンベンションホール（東京都）
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] タンパク質機能の分子シミュレーション2014
- Author(s)
  石田豊和
- Organizer
  第6回産総研ナノシステム連携促進フォーラム
- Place of Presentation
  秋葉原コンベンションホール(東京都)
- Year and Date
  2014-02-27
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computational Modeling of Protein Functions: Probing Protein Environment in Enzymatic Catalysis2014
- Author(s)
  石田豊和
- Organizer
  台湾中央研究院　生物化学研究所セミナー
- Place of Presentation
  Institute of Biomedical Sciences, Academia Sinica
- Year and Date
  2014-11-13
- Invited
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] オロチジン一リン酸脱炭酸酵素の反応機構における基質歪みの役割2014
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, 三登一八, Emil F. Pai, Lakshmi P. Kotra, 三木邦夫
- Organizer
  日本結晶学会
- Place of Presentation
  東京大学農学部
- Year and Date
  2014-11-01
- Data Source
  KAKENHI-PROJECT-24570130
[Presentation] 酵素活性における基質歪みの効果：ODCaseの酵素反応を例として2014
- Author(s)
  石田豊和、藤橋雅宏
- Organizer
  日本化学会第94春季年会
- Place of Presentation
  名古屋大学　東山キャンパス（愛知県）
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] オロチジン一リン酸脱炭酸酵素の反応機構2014
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, 三登一八, Emil F. Pai, Lakshmi P. Kotra, 三木邦夫
- Organizer
  物構研サイエンスフェスタ2013
- Place of Presentation
  つくば市　つくば国際会議場
- Data Source
  KAKENHI-PROJECT-24570130
[Presentation] オロチジン一リン酸脱炭酸酵素の基質の歪みを利用した反応機構2014
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, 三登一八, Lakshmi P. Kotra, Emil F. Pai, 三木邦夫
- Organizer
  第14回日本蛋白質科学会年会
- Place of Presentation
  横浜市ワークピア横浜/横浜産貿ホールマリネリア
- Year and Date
  2014-06-27
- Data Source
  KAKENHI-PROJECT-24570130
[Presentation] 酵素活性における基質歪みの効果:ODCase の酵素反応を例として2014
- Author(s)
  石田豊和, 藤橋雅宏
- Organizer
  日本化学会第94回春季年会
- Place of Presentation
  名古屋大学東山キャンパス(愛知県)
- Year and Date
  2014-03-27
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] ノロウィルスキャプシドタンパク質とルイス抗原との糖鎖認識機構2014
- Author(s)
  石田豊和、久保田智巳、白土東子
- Organizer
  第８回分子科学討論会 2014 東広島
- Place of Presentation
  広島大学　東広島キャンパス
- Year and Date
  2014-09-23
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] 複合シミュレーション手法で探るオロチジン一リン酸脱炭酸酵素の触媒機構2013
- Author(s)
  石田豊和, 藤橋雅宏
- Organizer
  第13回日本蛋白質科学会年会
- Place of Presentation
  とりぎん文化会館(鳥取県)
- Year and Date
  2013-06-14
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 酵素活性における基質歪みの効果 : ODCase の酵素反応を例として2013
- Author(s)
  石田豊和, 藤橋雅宏
- Organizer
  第7回分子科学討論会 2013 京都
- Place of Presentation
  京都テルサ(京都府)
- Year and Date
  2013-09-25
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] オロチジン一リン酸脱炭酸酵素の反応触媒機構の解析2013
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, 三登一八, Lakshmi P. Kotra, Emil F. Pai, 三木邦夫
- Organizer
  第13回日本蛋白質科学会年会
- Place of Presentation
  とりぎん文化会館(鳥取県)
- Year and Date
  2013-06-13
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computational Modeling of Protein Functions: Molecular Recognition and Enzymatic Catalysis2013
- Author(s)
  石田豊和
- Organizer
  第５回JCS理論化学国際会議
- Place of Presentation
  東大寺総合文化センター（奈良県）
- Invited
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 複合シミュレーションによるODCaseの反応機構解析2013
- Author(s)
  石田豊和、藤橋雅宏
- Organizer
  日本化学会第93春季年会 (2013)
- Place of Presentation
  立命館大学びわこ・くさつキャンパス
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 高分解能結晶構造と計算科学の融合によるノロウイルス糖鎖認識機構の解析2013
- Author(s)
  石田豊和、白土東子、成松久、久保田智巳
- Organizer
  第12回　産総研・産技連　LS-BT合同研究発表会
- Place of Presentation
  産総研つくばセンター共用講堂
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computer Simulation of Protein Function: Molecular Recognition and Enzymatic Catalysis2013
- Author(s)
  石田豊和
- Organizer
  Nagoya Symposium : Frontiers in Structural Physiology
- Place of Presentation
  名古屋大学・豊田講堂
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computer simulation of protein function: molecular recognition and enzymatic catalysis2013
- Author(s)
  石田豊和
- Organizer
  Nagoya Symposium: Frontiers in structural physiology
- Place of Presentation
  名古屋大学豊田講堂(愛知県)
- Year and Date
  2013-01-23
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 複合シミュレーション手法で探るオロチジン一リン酸脱炭酸酵素の触媒機構2013
- Author(s)
  石田豊和、藤橋雅宏
- Organizer
  第13回日本蛋白質科学会年会
- Place of Presentation
  鳥取市とりぎん文化会館（鳥取県）
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 複合シミュレーションによる ODCase の反応機構解析2013
- Author(s)
  石田豊和, 藤橋雅宏
- Organizer
  日本化学会第93回春季年会
- Place of Presentation
  立命館大学びわこくさつキャンパス(滋賀県)
- Year and Date
  2013-03-22
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] オロチジン一リン酸脱炭酸酵素の反応触媒機構の解析2013
- Author(s)
  藤橋雅宏、石田豊和、黒田新悟、三登一八、Lakshmi P. Kotra, Emil F. Pai, 三木邦夫
- Organizer
  第13回日本蛋白質科学会年会
- Place of Presentation
  鳥取市とりぎん文化会館（鳥取県）
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] オロチジン一リン酸脱炭酸酵素の反応触媒機構の解析2013
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, 三登一八, Emil F Pai, Lakshmi P. Kotra, 三木邦夫
- Organizer
  第13回日本蛋白質科学会年会
- Place of Presentation
  鳥取市　とりぎん文化会館
- Data Source
  KAKENHI-PROJECT-24570130
[Presentation] 酵素活性における基質歪みの効果:ODCaseの酵素反応を例として2013
- Author(s)
  石田豊和、藤橋雅宏
- Organizer
  第7回分子科学討論会 2013京都
- Place of Presentation
  京都テルサ（京都府）
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 高分解能結晶構造と計算科学の融合によるノロウィルス糖鎖認識機構の解析2013
- Author(s)
  石田豊和, 白土東子, 成松久, 久保田智巳
- Organizer
  第12回産総研-産技連 LS-BT 合同研究発表会
- Place of Presentation
  産総研つくばセンター共用講堂(茨城県)
- Year and Date
  2013-02-05
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computational modeling of protein functions: molecular recognition and enzymatic catalysis2013
- Author(s)
  石田豊和
- Organizer
  第5回 JCS 理論化学国際会議
- Place of Presentation
  東大寺総合文化センター(奈良県)
- Year and Date
  2013-12-03
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 若い世代の特別講演会：「タンパク質機能の分子シミュレーション：基質認識と酵素反応」2012
- Author(s)
  石田豊和
- Organizer
  日本化学会第９２春季年会(招待講演)
- Place of Presentation
  神奈川県　慶応義塾大学　日吉キャンパス
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] 基質構造の歪みを利用するオロチジン一リン酸脱炭酸酵素の反応機構2012
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, Emil F Pai, Lakshmi P. Kotra, 三木邦夫
- Organizer
  平成24年度日本結晶学会年会
- Place of Presentation
  東北大学片平キャンパス (仙台市)
- Data Source
  KAKENHI-PROJECT-24570130
[Presentation] 若い世代の特別講演会タンパク質機能の分子シミュレーション:基質認識と酵素反応2012
- Author(s)
  石田豊和
- Organizer
  日本化学会第92回春季年会
- Place of Presentation
  慶応義塾大学日吉キャンパス(神奈川県)
- Year and Date
  2012-03-27
- Invited
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] タンパク質機能の分子シミュレーション : 基質認識と酵素反応を例として2011
- Author(s)
  石田豊和
- Organizer
  第5回分子科学討論会 2011 札幌
- Place of Presentation
  札幌コンベンションセンター(北海道)
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computational modeling of carbohydrate recognition in selectin complex2011
- Author(s)
  石田豊和
- Organizer
  第71回岡崎コンファレンス「糖鎖分子科学の新たな展望」
- Place of Presentation
  岡崎コンファレンスセンター(愛知県)
- Year and Date
  2011-10-13
- Invited
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] オロチジンーリン酸脱炭酸酵素の反応における基質の歪みの役割2011
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, Emil F Pai, Lakshmi P Kotra, 三木邦夫
- Organizer
  第11回日本蛋白質科学会年会
- Place of Presentation
  ホテル阪急エキスポパーク(大阪府)
- Year and Date
  2011-06-08
- Data Source
  KAKENHI-PROJECT-22770102
[Presentation] オロチジン一リン酸脱炭酸酵素の反応における基質の歪みの役割2011
- Author(s)
  藤橋雅宏, 石田豊和, 黒田新悟, Emil F Pai, Lakshmi P Kotra, 三木邦夫
- Organizer
  第11回日本蛋白質科学会年会
- Place of Presentation
  ホテル阪急エキスポパーク(大阪府)
- Year and Date
  2011-06-08
- Data Source
  KAKENHI-PROJECT-22770102
[Presentation] Computational modeling of carbohydrate recognition in selectin complex2011
- Author(s)
  石田豊和
- Organizer
  Ninth triennial congress of the World Association of Theoretical and Computational Chemists (WATOC 2011)
- Place of Presentation
  University of Santiago, Santiago De Compostela, スペイン
- Year and Date
  2011-07-21
- Invited
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computational Modeling of Carbohydrate-Recognition in Selectin Complex2011
- Author(s)
  石田豊和
- Organizer
  第71回岡崎コンファレンス「糖鎖分子科学の新たな展望」　(招待講演)
- Place of Presentation
  愛知県　岡崎コンファレンスセンター
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] Computational Modeling of Carbohydrate-Recognition in Selectin Complex2011
- Author(s)
  石田豊和
- Organizer
  Ninth triennial congress of the World Association of Theoretical and Computational Chemists (WATOC 2011)　　(招待講演)
- Place of Presentation
  スペイン　Santiago De Compostela
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] タンパク質機能の分子シミュレーション:基質認識と酵素反応を例として2011
- Author(s)
  石田豊和
- Organizer
  第５回分子科学討論会２０１１札幌
- Place of Presentation
  北海道　札幌コンベンションセンター
- Data Source
  KAKENHI-PROJECT-23550035
[Presentation] タンパク質機能の分子シミュレーション:基質認識と酵素反応2010
- Author(s)
  石田豊和
- Organizer
  平成21年度産総研・産技連LS-BT合同研究発表会
- Place of Presentation
  産総研つくばセンター共用講堂
- Year and Date
  2010-02-04
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 複合モデリング計算によるODCaseの反応機構の解析2010
- Author(s)
  石田豊和
- Organizer
  次世代ナノ統合シミュレーションソフトウェアの研究開発第4回公開シンポジウム
- Place of Presentation
  自然科学研究機構岡崎コンファレンスセンター
- Year and Date
  2010-03-04
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] タンパク質機能の分子シミュレーション:基質認識と酵素反応2010
- Author(s)
  石田豊和
- Organizer
  第4回ナノバイオデバイス・ワークショップ
- Place of Presentation
  産総研つくばセンター共用講堂
- Year and Date
  2010-01-15
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 糖タンパク質の糖鎖認識機構の分子モデリング2010
- Author(s)
  石田豊和
- Organizer
  第90回日本化学会第90春季年会
- Place of Presentation
  近畿大学
- Year and Date
  2010-03-26
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] ODCaseの酵素触媒機構2009
- Author(s)
  石田豊和
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋大学東山キャンパス
- Year and Date
  2009-09-23
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Probing Protein Environment in Enzymatic Process : Hybrid Computational Modeling of Chorismate Mutase Catalysis2009
- Author(s)
  Toyokazu Ishida
- Organizer
  次世代スーパーコンピュータプロジェクト・第3回公開シンポジウム
- Place of Presentation
  自然科学研究機構岡崎コンファレンスセンター
- Year and Date
  2009-03-05
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Probing Protein Environment in Enzymatic Process based on Hybrid Computational Modeling: Case Study of Chorismate Mutase Catalysis2009
- Author(s)
  Toyokazu Ishida
- Organizer
  BIT's 2nd Annual Protein and Peptide Conference (PepCon 2009)
- Place of Presentation
  Seoul, South Korea
- Year and Date
  2009-04-03
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 階層的計算手法を用いたセレクチンの糖鎖認識機構の解析2009
- Author(s)
  石田豊和
- Organizer
  第9回日本蛋白質科学年会
- Place of Presentation
  熊本全日空ホテル
- Year and Date
  2009-05-22
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] タンパク質機能の分子シミュレーション:基質認識と酵素反応2009
- Author(s)
  石田豊和
- Organizer
  計算科学シンポジウム
- Place of Presentation
  秋葉原UDX
- Year and Date
  2009-12-07
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 複合モデリング計算によるタンパク質機能の理論解析:タンパク質分解酵素を例として2009
- Author(s)
  石田豊和
- Organizer
  第82回日本生化学会大会
- Place of Presentation
  神戸ポートアイランド
- Year and Date
  2009-10-24
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 糖タンパク質の糖鎖認識機構の分子モデリング2009
- Author(s)
  石田豊和
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京大学本郷キャンパス
- Year and Date
  2009-05-29
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Probing Protein Environment in Enzymatic Process based on Hybrid Computational Modeling : Case Study of Chorismate Mutase Catalysis2009
- Author(s)
  Toyokazu Ishida
- Organizer
  BIT's 2^<nd> Annual Protein and Peptide Conference (PepCon 2009)
- Place of Presentation
  Seoul, South Korea
- Year and Date
  2009-04-03
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 複合的モデリングを用いた酵素反応におけるタンパク質環境の解析 : chorismate mutaseを例として2008
- Author(s)
  石田豊和
- Organizer
  第8回日本蛋白質科学会年会
- Place of Presentation
  タワーホール船堀、東京
- Year and Date
  2008-06-10
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] セレクチン-糖鎖複合体の構造解析 : 複合シミュレーションによるアプローチ2008
- Author(s)
  石田豊和
- Organizer
  日本化学会第2回関東支部大会(2008)
- Place of Presentation
  群馬大学桐生キャンパス
- Year and Date
  2008-09-19
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] セレクチン-糖鎖複合体の構造解析:複合シミュレーションによるアプローチ2008
- Author(s)
  石田豊和
- Organizer
  日本化学会第2回関東支部大会
- Place of Presentation
  群馬大学桐生キャンパス
- Year and Date
  2008-09-19
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Hybrid Modeling Study of a Ligand Recognition Process in Selectin-Carbohydrate Complex2008
- Author(s)
  Toyokazu Ishida
- Organizer
  1st International Conference of The Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  東京国際交流館, 日本科学未来館
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Theoretical Modeling of Ligand Recognition Process in Selectin Complex2008
- Author(s)
  Toyokazu Ishida
- Organizer
  International Conference on Multi-scale Simulations of Biological and Soft Materials (MSBSM2008)
- Place of Presentation
  Akihabara Convention Hall 5B
- Year and Date
  2008-06-19
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Hybrid Modeling Study of a Ligand Recognition Process in Selectin-Carbohydrate Complex2008
- Author(s)
  Toyokazu Ishida
- Organizer
  1st International Conference of The Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  東京国際交流館,日本科学未来館
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 糖タンパク質ー糖鎖複合体の階層的分子モデリング2008
- Author(s)
  石田豊和
- Organizer
  第22回分子シミュレーション討論会
- Place of Presentation
  岡山大学
- Year and Date
  2008-11-18
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Theoretical Perspectives on the Reaction Mechanism of Serine Proteases2008
- Author(s)
  Toyokazu Ishida
- Organizer
  BIT'S 1st Annual Protein and Peptide Conference (Pepcon 2008)
- Place of Presentation
  Shenzhen, China
- Year and Date
  2008-04-22
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Computational Modeling of Carbohydrate Recognition Process in Selectins2008
- Author(s)
  Toyokazu Ishida
- Organizer
  Computational Sciences Workshop 2008 (CSW2008)
- Place of Presentation
  エポカルつくば
- Year and Date
  2008-12-10
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 糖タンパク質セレクチンの糖鎖認識機構2008
- Author(s)
  石田豊和
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Theoretical Perspectives on the Reaction Mechanism of Serine Proteases2008
- Author(s)
  Toyokazu Ishida
- Organizer
  BIT's 1st Annual Protein and Peptide Conference (PepCon 2008)
- Place of Presentation
  Shenzhen, China
- Year and Date
  2008-04-22
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 糖タンパク質セレクチンの糖鎖認識機構2008
- Author(s)
  石田豊和
- Organizer
  第2回分子科学討論会(福岡)
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 糖タンパク質-糖鎖複合体の階層的分子モデリング2008
- Author(s)
  石田豊和
- Organizer
  第22回分子シミュレーション討論会
- Place of Presentation
  岡山大学
- Year and Date
  2008-11-18
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 複合的モデリングを用いた酵素反応におけるタンパク質環境の解析:chorismate mutaseを例として2008
- Author(s)
  石田豊和
- Organizer
  第8回日本蛋白質科学会年会
- Place of Presentation
  タワーホール船堀、東京
- Year and Date
  2008-06-10
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] タンパク質-糖鎖認識機構の分子モデリング2007
- Author(s)
  石田豊和
- Organizer
  第1回分子科学討論会2007(仙台)
- Place of Presentation
  北大学川内北キャンパス
- Year and Date
  2007-09-19
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] タンパク質-糖鎖認識機構の分子モデリング2007
- Author(s)
  石田豊和
- Organizer
  第1回分子科学討論会2007
- Place of Presentation
  東北大学川内北キャンパス
- Year and Date
  2007-09-19
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] 酵素反応の詳細な理解に向けて:QM/MM+全電子計算によるタンパク質環境の解析2007
- Author(s)
  石田豊和
- Organizer
  第10回理論化学討論会
- Place of Presentation
  名古屋大学野依記念学術交流館
- Year and Date
  2007-05-16
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Toward Accurate Modeling of Enzymatic Reactions: All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase2007
- Author(s)
  Toyokazu Ishida
- Organizer
  International Conference of Computational Methods in Sciences and Engineering2007(ICCMSE2007)
- Place of Presentation
  コルフ、ギリシャ
- Year and Date
  2007-09-26
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Toward Accurate Mo deling of Enzymatic Reactions: All Elec tron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate M utase2007
- Author(s)
  Toyokazu Ishida
- Organizer
  International Conference of Co mputational Methods in Sciences and Eng ineering 2007 (ICCMSE 2007)
- Place of Presentation
  Corfu、Greece
- Year and Date
  2007-09-26
- Data Source
  KAKENHI-PROJECT-19750021
[Presentation] Computational Modeling of Protein Functions: Probing Protein Environment in Enzymatic Catalysis
- Author(s)
  石田豊和
- Organizer
  WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems
- Place of Presentation
  Universidad de Concepcion, Concepcion, Chile
- Year and Date
  2014-10-13 – 2014-10-14
- Invited
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] QM分科会第一部　生体系のエネルギー計算、QM分科会第二部　酵素反応基礎論とQM/MM法による理論計算
- Author(s)
  石田豊和
- Organizer
  第18回分子シミュレーション夏の学校
- Place of Presentation
  大原温泉　湯元のお宿　民宿大原山荘
- Year and Date
  2014-09-02 – 2014-09-03
- Invited
- Data Source
  KAKENHI-PROJECT-26410031
[Presentation] Substrate distortion in the catalysis of orotidine monophosphate decarboxylase
- Author(s)
  Masahiro Fujihashi, Toyokazu Ishida, Shingo Kuroda, Kazuya Mito, Lakshmi P. Kotra, Emil F. Pai, Kunio Miki
- Organizer
  23rd Congress and General Assembly of the International Union of Crystallography
- Place of Presentation
  Montreal, Quebec, Canada
- Year and Date
  2014-08-06 – 2014-08-08
- Data Source
  KAKENHI-PROJECT-24570130

1. FUJIHASHI Masahiro (10397581)

# of Collaborated Projects: 2 results

# of Collaborated Products: 8 results
2. SATO Tsutomu (80334655)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. KOTRA P. lakshmi

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results

Ishida Toyokazu 石田 豊和

ISHIDA Toyokazu 石田 豊和

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Theoretical research on the ground state destabilization hypothesis in enzymatic reactionsPrincipal Investigator

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Computational modeling and analysis of glycosyl hyrolases : reaction mechanism and catalytic designPrincipal Investigator

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Computational research for development of mechanistic principle in carbohydrate binding proteins: molecular recognition and catalytic mechanismPrincipal Investigator

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Elucidation of catalytic mechanism of two characteristic enzymes and its application based on crystal structures.

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Mechanistic principle of protein functions: computational approach based on the free energy analysesPrincipal Investigator

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Investigation of the reaction mechanism of orotidine monophosphate decarboxylase using the distortion of the substrate

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Theoretical Analysis of Enzymatic Functions based on Hybrid-Computational ModelingPrincipal Investigator

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[Book] The Fragment Molecular Orbital Method : Practical Applications to Large Molecular Systems2009

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[Book] Modeling Protein Environment in an Enzymatic Catalysis: A Case Study of the Chorismate Mutase Reaction"、Book chapter in "The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems2009

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[Journal Article] Insight into the Catalytic Mechanism of GH11 Xylanase: Computational Analysis of Substrate Distortion Based on a Neutron Structure2020

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[Journal Article] Computational analysis of carbohydrate recognition based on hybrid QM/MM modeling: a case study of norovirus capsid protein in complex with Lewis antigen2018

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[Journal Article] Computational modeling of carbohydrate recognition in protein complex2017

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[Journal Article] 大規模量子計算を基礎とした酵素反応研究の現状と今後の展望2013

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NAID

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[Journal Article] Substrate Distortion Contributes to the Catalysis of Orotidine 5′-Monophosphate Decarboxylase2013

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DOI

Ishida Toyokazu 石田豊和

ISHIDA Toyokazu 石田豊和