Oda Akifumi 小田彰史

… Alternative Names

ODA Akifumi 小田彰史

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Researcher Number	50433511
Other IDs
External Links
Affiliation (Current)	2025: 名城大学, 薬学部, 教授
Affiliation (based on the past Project Information) *help	2025: 名城大学, 薬学部, 教授 2016 – 2019: 名城大学, 薬学部, 教授 2012 – 2015: 金沢大学, 薬学系, 准教授 2011: 東北薬科大学, 薬学部, 講師 2007 – 2008: Tohoku Pharmaceutical University, 薬学部, 助教
Review Section/Research Field	Principal Investigator Physical pharmacy / Transformative Research Areas, Section (II) / Science and Engineering / Drug development chemistry / Physical chemistry Except Principal Investigator Cardiovascular medicine / Tumor therapeutics / Risk sciences of radiation and chemicals
Keywords	Principal Investigator 分子シミュレーション / 薬物代謝酵素 / 遺伝多型 / 薬学 / 酵素 / タンパク質構造柔軟性 / タンパク質フォールディング / 二次構造 / 進化 / 蛋白質 … More / タンパク質構造予測 / 原始タンパク質 / 計算化学 / 分子動力学シミュレーション / 基質認識 / 構造揺らぎ / スコア関数 / Ligand-based drug design / コンセンサススコア / 対話型最適化 / 多目的最適化 / タンパク質－リガンドドッキング / インシリコ創薬 / 量子化学計算 / 分子力場 / ホモロジーモデリング / ドラッグデザイン … More Except Principal Investigator 低分子化合物 / 阻害剤 / ヌクレオチド除去修復 / 肥大型心筋症 / ホスホリラーゼ / リン酸化 / 心不全 / 増感作用 / シスプラチン / 抗癌剤 / スクリーニング / 化合物ライブラリー / ケミカルバイオロジー Less

COを反応物・触媒とする化学反応の量子化学計算：非酵素的に生体分子は作れるか？Principal Investigator
- Principal Investigator
  
  小田彰史
- Project Period (FY)
  2025 – 2026
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Meijo University
Influence of structural flexibility of drug metabolizing enzyme on ligand recognitionPrincipal Investigator
- Principal Investigator
  
  Oda Akifumi
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Meijo University
Phosphorylase phosphorylation in the heart failure development
- Principal Investigator
  
  Konno Tetsuo
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Cardiovascular medicine
- Research Institution
  Kanazawa University
限られたアミノ酸のみから原始タンパク質が構築できるか？Principal Investigator
- Principal Investigator
  
  小田彰史
- Project Period (FY)
  2015 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Meijo University
  Kanazawa University
Influence of genetic polymorphism on three-dimensional structure and structural flexibility of drug metabolizing enzymePrincipal Investigator
- Principal Investigator
  
  Oda Akifumi
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Meijo University
  Kanazawa University
Application of chemical biology to a mechanistic study of human nucleotide excision repair
- Principal Investigator
  
  MATSUNAGA Tsukasa
- Project Period (FY)
  2013 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Risk sciences of radiation and chemicals
- Research Institution
  Kanazawa University
Analysis of a novel small-molecule compound inducing the degradation of a cisplatin resistance-related factor ERCC1
- Principal Investigator
  
  MATSUNAGA Tsukasa
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Tumor therapeutics
- Research Institution
  Kanazawa University
Development of the protein-ligand docking program using multi-objective optimization and interactive optimizationPrincipal Investigator
- Principal Investigator
  
  ODA Akifumi
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Drug development chemistry
- Research Institution
  Kanazawa University
  Tohoku Pharmaceutical University
Computational studies for ligand binding mechanisms of drug metabolizing enzymes with genetic polymorphismPrincipal Investigator
- Principal Investigator
  
  ODA Akifumi
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (Start-up)
- Research Field
  
  Physical chemistry
- Research Institution
  Tohoku Pharmaceutical University

All 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2008 2007 Other

All Journal Article Presentation Book Other

[Book] Theory, Kinetics and Implementation (D. E. Garcia, et al., Eds.), chapter 22012
- Author(s)
  A. Oda, et al
- Publisher
  Nova Science Publishers, Inc.
- Data Source
  KAKENHI-PROJECT-23790137
[Book] Quantum Systems in Chemistry and Physics: Progress in Methods and Applications2012
- Author(s)
  Akifumi Oda, Yu Takano, Ohgi Takahashi
- Publisher
  Springer Science+Business Media B.V.
- Data Source
  KAKENHI-PROJECT-23790137
[Book] Quantum Systems in Chemistry and Physics: Progress in Methods and Applications (K. Nishikawa, et al., Eds.), chapter 172012
- Author(s)
  A. Oda, et al
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] CYP2D6 genotyping analysis and functional characterization of novel allelic variants in a Ni-Vanuatu and Kenyan population by assessing dextromethorphan O-demethylation activity2020
- Author(s)
  Gutierrez Rico Evelyn Marie、Kikuchi Aoi、Saito Takahiro、Kumondai Masaki、Hishinuma Eiji、Kaneko Akira、Chan Chim Wai、Gitaka Jesse、Nakayoshi Tomoki、Oda Akifumi、Saito Sakae、Hirasawa Noriyasu、Hiratsuka Masahiro
- Journal Title
  
  Drug Metabolism and Pharmacokinetics
  
  Volume: 35 Issue: 1 Pages: 89-101
- DOI
  10.1016/j.dmpk.2019.07.003
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19J23595, KAKENHI-PROJECT-17K08257
[Journal Article] Antiproliferative Aspidosperma-Type Monoterpenoid Indole Alkaloids from Bousigonia mekongensis Inhibit Tubulin Polymerization2019
- Author(s)
  Zhang Yu、Goto Masuo、Oda Akifumi、Hsu Pei-Ling、Guo Ling-Li、Fu Yan-Hui、Morris-Natschke Susan、Hamel Ernest、Lee Kuo-Hsiung、Hao Xiao-Jiang
- Journal Title
  
  Molecules
  
  Volume: 24 Issue: 7 Pages: 1256-1256
- DOI
  10.3390/molecules24071256
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Draft Genome Sequence of Saccharomyces cerevisiae Strain Pf-1, Isolated from Prunus mume2019
- Author(s)
  Kanamasa Shin、Yamaguchi Daiki、Machida Chiyoko、Fujimoto Tsukasa、Takahashi Anna、Murase Masataka、Fukuyoshi Shuichi、Oda Akifumi、Satou Kenji、Takahashi Hiro
- Journal Title
  
  Microbiology Resource Announcements
  
  Volume: 8 Issue: 46
- DOI
  10.1128/mra.01169-19
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18KT0047, KAKENHI-PROJECT-19K06454, KAKENHI-PROJECT-19K06730, KAKENHI-PROJECT-17K08257, KAKENHI-PUBLICLY-17H05659, KAKENHI-PROJECT-19K22892, KAKENHI-PROJECT-18H03330
[Journal Article] Computational studies on nonenzymatic pyroglutamylation mechanism of N-terminal glutamic acid residues in aqueous conditions*2019
- Author(s)
  Nakayoshi Tomoki、Kato Koichi、Kurimoto Eiji、Oda Akifumi
- Journal Title
  
  Molecular Physics
  
  Volume: - Issue: 14 Pages: e1702727-e1702727
- DOI
  10.1080/00268976.2019.1702727
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19J23595, KAKENHI-PROJECT-17K08257
[Journal Article] Computational studies on the mechanisms of nonenzymatic intramolecular cyclization of the glutamine residues located at N-termini catalyzed by inorganic phosphate species2019
- Author(s)
  Tomoki Nakayoshi, Koichi Kato, Eiji Kurimoto, Akifumi Oda
- Journal Title
  
  ACS Omega
  
  Volume: 5 Issue: 16 Pages: 9162-9170
- DOI
  10.1021/acsomega.9b04384
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257, KAKENHI-PROJECT-19J23595
[Journal Article] Possible Mechanisms of Nonenzymatic Formation of Dehydroalanine Residue Catalyzed by Dihydrogen Phosphate Ion2019
- Author(s)
  Nakayoshi Tomoki、Kato Koichi、Kurimoto Eiji、Oda Akifumi
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 123 Issue: 15 Pages: 3147-3155
- DOI
  10.1021/acs.jpcb.8b10386
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Draft Genome Sequence of Aspergillus terreus High-Itaconic-Acid-Productivity Mutant TN-4842019
- Author(s)
  Kanamasa Shin、Minami Tomoyuki、Okabe Mitsuyasu、Park Enoch Y.、Fujimoto Tsukasa、Takahashi Anna、Murase Masataka、Fukuyoshi Shuichi、Oda Akifumi、Satou Kenji、Takahashi Hiro
- Journal Title
  
  Microbiology Resource Announcements
  
  Volume: 8 Issue: 49
- DOI
  10.1128/mra.01170-19
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K06454, KAKENHI-PROJECT-17K08257, KAKENHI-PUBLICLY-17H05659, KAKENHI-PROJECT-19K22892, KAKENHI-PROJECT-18H03330
[Journal Article] Computational Studies on Water-Catalyzed Mechanisms for Stereoinversion of Glutarimide Intermediates Formed from Glutamic Acid Residues in Aqueous Phase2019
- Author(s)
  Nakayoshi Tomoki、Fukuyoshi Shuichi、Kato Koichi、Kurimoto Eiji、Oda Akifumi
- Journal Title
  
  International Journal of Molecular Sciences
  
  Volume: 20 Issue: 10 Pages: 2410-2410
- DOI
  10.3390/ijms20102410
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19J23595, KAKENHI-PROJECT-17K08257
[Journal Article] ER subtype selectivity of m-carborane-containing phenols: C-alkyl groups on the m-carborane cage enhance ERα selectivity2019
- Author(s)
  Ohta Kiminori、Ogawa Takumi、Kato Koichi、Oda Akifumi、Endo Yasuyuki
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: 29 Issue: 16 Pages: 2290-2293
- DOI
  10.1016/j.bmcl.2019.06.025
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K08029, KAKENHI-PROJECT-17K08257
[Journal Article] Computational Studies on the Nonenzymatic Deamidation Mechanisms of Glutamine Residues2019
- Author(s)
  Kato Koichi、Nakayoshi Tomoki、Kurimoto Eiji、Oda Akifumi
- Journal Title
  
  ACS Omega
  
  Volume: 4 Issue: 2 Pages: 3508-3513
- DOI
  10.1021/acsomega.8b03199
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] スクシンイミドおよびグルタルイミド構造に対する古典的分子力場パラメータの評価2019
- Author(s)
  仲吉朝希、加藤紘一、福吉修一、栗本英治、小田彰史
- Journal Title
  
  名城大学総合研究所総合学術研究論文集
  
  Volume: 18 Pages: 19-28
- NAID
  40022135713
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Three dimensional structures of putative, primitive proteins to investigate the origin of homochirality2019
- Author(s)
  Oda Akifumi、Nakayoshi Tomoki、Kato Koichi、Fukuyoshi Shuichi、Kurimoto Eiji
- Journal Title
  
  Scientific Reports
  
  Volume: 9 Issue: 1 Pages: 11594-11594
- DOI
  10.1038/s41598-019-48134-z
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19J23595, KAKENHI-PROJECT-17K08257
[Journal Article] Selective and competitive inhibition of kynurenine aminotransferase 2 by glycyrrhizic acid and its analogues2019
- Author(s)
  Yoshida Yukihiro、Fujigaki Hidetsugu、Kato Koichi、Yamazaki Kyoka、Fujigaki Suwako、Kunisawa Kazuo、Yamamoto Yasuko、Mouri Akihiro、Oda Akifumi、Nabeshima Toshitaka、Saito Kuniaki
- Journal Title
  
  Scientific Reports
  
  Volume: 9 Issue: 1 Pages: 10243-10243
- DOI
  10.1038/s41598-019-46666-y
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K07490, KAKENHI-PROJECT-18K19761, KAKENHI-PROJECT-17H04252, KAKENHI-PROJECT-17K01969, KAKENHI-PROJECT-17K08257, KAKENHI-PROJECT-18K15377
[Journal Article] Structural differences between the ligand-binding pockets of estrogen receptors alpha and beta2018
- Author(s)
  Kato K、Fujii K、Nakayoshi T、Watanabe Y、Fukuyoshi S、Ohta K、Endo Y、Yamaotsu N、Hirono S、Kurimoto E、Oda A
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 1136 Pages: 012021-012021
- DOI
  10.1088/1742-6596/1136/1/012021
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Validation of molecular force field parameters for peptides including isomerized amino acids2018
- Author(s)
  Akifumi Oda, Tomoki Nakayoshi, Shuichi Fukuyoshi, Eiji Kurimoto, Noriyuki Yamaotsu, Shuichi Hirono, Ohgi Takahashi
- Journal Title
  
  Chirality
  
  Volume: 30 Issue: 4 Pages: 332-341
- DOI
  10.1002/chir.22821
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Comparison of the activation energy barrier for succinimide formation from α- and β-aspartic acid residues obtained from density functional theory calculations2018
- Author(s)
  Tomoki Nakayoshi, Koichi Kato, Shuichi Fukuyoshi, Ohgi Takahashi, Eiji Kurimoto, Akifumi Oda
- Journal Title
  
  Biochimica et Biophysica Acta - Proteins and Proteomics
  
  Volume: 1866 Issue: 7 Pages: 759-766
- DOI
  10.1016/j.bbapap.2017.12.011
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] 分子動力学法による小さいタンパク質の立体構造予測におけるシミュレーション時間の検討2018
- Author(s)
  加藤紘一、仲吉朝希、福吉修一、栗本英治、小田彰史
- Journal Title
  
  名城大学総合研究所総合学術研究論文集
  
  Volume: 17 Pages: 41-50
- NAID
  40021640439
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Computational studies on non-succinimide-mediated stereoinversion mechanism of aspartic acid residues assisted by phosphate2018
- Author(s)
  Tomoki Nakayoshi, Shuichi Fukuyoshi, Ohgi Takahashi, Akifumi Oda
- Journal Title
  
  Molecular Physics
  
  Volume: 116 Issue: 5-6 Pages: 686-696
- DOI
  10.1080/00268976.2017.1414964
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Triazine-Based Cationic Leaving Group: Synergistic Driving Forces for Rapid Formation of Carbocation Species2018
- Author(s)
  Hikaru Fujita, Satoshi Kakuyama, Shuichi Fukuyoshi, Naoko Hayakawa, Akifumi Oda, Munetaka Kunishima
- Journal Title
  
  The Journal of Organic Chemistry
  
  Volume: 83 Issue: 8 Pages: 4568-4580
- DOI
  10.1021/acs.joc.8b00331
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257, KAKENHI-PROJECT-17H03970
[Journal Article] Computational studies on the water-catalyzed stereoinversion mechanism of glutamic acid residues in peptides and proteins2018
- Author(s)
  Tomoki Nakayoshi, Koichi Kato, Shuichi Fukuyoshi, Ohgi Takahashi, Eiji Kurimoto, Akifumi Oda
- Journal Title
  
  Chirality
  
  Volume: 30 Issue: 5 Pages: 527-535
- DOI
  10.1002/chir.22841
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Difference in substrate specificity of carboxylesterase and arylacetamide deacetylase between dogs and humans2018
- Author(s)
  Tomohiro Yoshida, Tatsuki Fukami, Takaya Kurokawa, Saki Gotoh, Akifumi Oda, Miki Nakajima
- Journal Title
  
  European Journal of Pharmaceutical Sciences
  
  Volume: 111 Pages: 167-176
- DOI
  10.1016/j.ejps.2017.09.040
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] The assembling mechanism of coiled-coil domains of the yeast cargo receptors Emp46p/47p and the mutational alteration of pH-dependency of complex formation2018
- Author(s)
  Koichi Kato, Takahisa Furuhashi, Koichi Kato, Akifumi Oda, Eiji Kurimoto
- Journal Title
  
  Journal of Biochemistry
  
  Volume: 163 Issue: 5 Pages: 441-446
- DOI
  10.1093/jb/mvy011
- NAID
  40021555337
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257, KAKENHI-ORGANIZER-25102001, KAKENHI-PLANNED-25102008
[Journal Article] Effect of the Arg456His mutation on the three-dimensional structure of cytochrome P450 1A2 predicted by molecular dynamics simulations2018
- Author(s)
  Watanabe Y、Kato K、Fukuyoshi S、Hiratsuka M、Yamaotsu N、Hirono S、Gouda H、Oda A
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 1136 Pages: 012023-012023
- DOI
  10.1088/1742-6596/1136/1/012023
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Functional characterization of 9 CYP2A13 allelic variants by assessment of nicotine C-oxidation and coumarin 7-hydroxylation2018
- Author(s)
  Masaki Kumondai, Hiroki Hosono, Masamitsu Maekawa, Hiroaki Yamaguchi, Nariyasu Mano, Akifumi Oda, Noriyasu Hirasawa, Masahiro Hiratsuka
- Journal Title
  
  Drug Metabolism and Pharmacokinetics
  
  Volume: 33 Issue: 1 Pages: 82-89
- DOI
  10.1016/j.dmpk.2017.11.004
- NAID
  210000161998
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Prediction of the three-dimensional structures of histone deacetylase 1 complexed with romidepsin and FK-A52018
- Author(s)
  Oda A、Kato K、Morino M、Nakayoshi T、Fukuyoshi S、Saijo K、Ishioka C、Kurimoto E
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 1136 Pages: 012019-012019
- DOI
  10.1088/1742-6596/1136/1/012019
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Molecular dynamics study of the interaction between PACAP (6’?38’) and the N-terminal extracellular domain of the human splice variant hPAC1-R-short, aiming at the development of neuropathic pain medicine2018
- Author(s)
  Watanabe Y、Oda A、Gouda H
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 1136 Pages: 012024-012024
- DOI
  10.1088/1742-6596/1136/1/012024
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Novel androgen receptor full antagonists: Design, synthesis, and a docking study of glycerol and aminoglycerol derivatives that contain p -carborane cages2018
- Author(s)
  Kaise Asako、Ohta Kiminori、Fujii Shinya、Oda Akifumi、Goto Tokuhito、Endo Yasuyuki
- Journal Title
  
  Bioorganic & Medicinal Chemistry
  
  Volume: 26 Issue: 13 Pages: 3805-3811
- DOI
  10.1016/j.bmc.2018.06.007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K08029, KAKENHI-PROJECT-17K08257, KAKENHI-PROJECT-17H03997
[Journal Article] Influences of conformations of peptides on stereoinversions and/or isomerizations of aspartic acid residues2018
- Author(s)
  Akifumi Oda, Tomoki Nakayoshi, Shuichi Fukuyoshi, Eiji Kurimoto, Ohgi Takahashi
- Journal Title
  
  Biochimica et Biophysica Acta - Proteins and Proteomics
  
  Volume: 1866 Issue: 7 Pages: 783-788
- DOI
  10.1016/j.bbapap.2018.01.006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Computational studies on cyclic imide formation mechanism of glutamic acid residues catalyzed by two water molecules2018
- Author(s)
  Nakayoshi T、Kato K、Fukuyoshi S、Takahashi O、Kurimoto E、Oda A
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 1136 Pages: 012020-012020
- DOI
  10.1088/1742-6596/1136/1/012020
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Determination of molecular force field parameters for nitronyl nitroxide derivatives using quantum chemical calculations2017
- Author(s)
  Akifumi Oda, Shuichi Fukuyoshi, Eiji Kurimoto
- Journal Title
  
  Polyhedron
  
  Volume: 136 Pages: 93-101
- DOI
  10.1016/j.poly.2017.03.009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Functional characterization of 34 CYP2A6 allelic variants by assessment of nicotine C-oxidation and coumarin 7-hydroxylation activities2017
- Author(s)
  Hiroki Hosono, Masaki Kumondai, Masamitsu Maekawa, Hiroaki Yamaguchi, Nariyasu Mano, Akifumi Oda, Noriyasu Hirasawa, Masahiro Hiratsuka
- Journal Title
  
  Drug Metabolism and Disposition
  
  Volume: 45 Issue: 3 Pages: 279-285
- DOI
  10.1124/dmd.116.073494
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-15H01064, KAKENHI-PROJECT-26460034
[Journal Article] Theoretical Study on Keto-enol Tautomerization of Glutarimide for Exploration of the Isomerization Reaction Pathway of Glutamic Acid in Proteins Using Density Functional Theory2017
- Author(s)
  S. Fukuyoshi, T. Nakayoshi, O. Takahashi, A. Oda
- Journal Title
  
  Molecular Physics
  
  Volume: 115 Issue: 5 Pages: 560-565
- DOI
  10.1080/00268976.2016.1232844
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-15H01064, KAKENHI-PROJECT-26460034
[Journal Article] Validation of Molecular Dynamics Simulations for Prediction of Three-dimensional Structures of Small Proteins2017
- Author(s)
  Koichi Kato, Tomoki Nakayoshi, Shuichi Fukuyoshi, Eiji Kurimoto, Akifumi Oda
- Journal Title
  
  Molecules
  
  Volume: 22 Issue: 10 Pages: 1716-1716
- DOI
  10.3390/molecules22101716
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Functional characterization of 21 allelic variants of dihydropyrimidinase2017
- Author(s)
  Eiji Hishinuma, Fumika Akai, Yoko Narita, Masamitsu Maekawa, Hiroaki Yamaguchi, Nariyasu Mano, Akifumi Oda, Noriyasu Hirasawa, Masahiro Hiratsuka
- Journal Title
  
  Biochemical Pharmacology
  
  Volume: 143 Pages: 118-128
- DOI
  10.1016/j.bcp.2017.06.121
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K08257
[Journal Article] Investigation of substrate recognition for cytochrome P450 1A2 mediated by water molecules using docking and molecular dynamics simulations2017
- Author(s)
  Yurie Watanabe, Shuichi Fukuyoshi, Koichi Kato, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Hiroaki Gouda, Akifumi Oda
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 74 Pages: 326-336
- DOI
  10.1016/j.jmgm.2017.04.006
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-15H01064, KAKENHI-PROJECT-26460034, KAKENHI-PROJECT-17K08257
[Journal Article] Triethylated chromones with substituted naphthalenes as tubulin inhibitors2016
- Author(s)
  Kyoko Nakagawa-Goto, Yukako Taniguchi, Yurie Watanabe, Akifumi Oda, Emika Ohkoshi, Ernest Hamel, Kuo-Hsiung Lee, Masuo Goto
- Journal Title
  
  Bioorganic & Medicinal Chemistry
  
  Volume: 24 Issue: 22 Pages: 6048-6057
- DOI
  10.1016/j.bmc.2016.09.062
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064, KAKENHI-PROJECT-26460034, KAKENHI-PROJECT-26462854
[Journal Article] Whole exome sequencing combined with integrated variant annotation prediction identifies a causative myosin essential light chain variant in hypertrophic cardiomyopathy.2016
- Author(s)
  Nomura A, Tada H, Teramoto R, Konno T, Hodatsu A, Won HH, Kathiresan S, Ino H, Fujino N, Yamagishi M, Hayashi K.
- Journal Title
  
  J Cardiol.
  
  Volume: 2 Issue: 2 Pages: 133-9
- DOI
  10.1016/j.jjcc.2015.09.003
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460670, KAKENHI-PROJECT-26460742, KAKENHI-PROJECT-25460648, KAKENHI-PROJECT-25860589, KAKENHI-PROJECT-15K09134
[Journal Article] Molecular dynamics simulations to investigate the influences of amino acid mutations on protein three-dimensional structures of cytochrome P450 2D6.1, 2, 10, 14A, 51, and 622016
- Author(s)
  S. Fukuyoshi, M. Kometani, Y. Watanabe, M. Hiratsuka, N. Yamaotsu, S. Hirono, N. Manabe, O. Takahashi, A. Oda
- Journal Title
  
  PLOS ONE
  
  Volume: 11 Issue: 4 Pages: e0152946-e0152946
- DOI
  10.1371/journal.pone.0152946
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PUBLICLY-15H01064, KAKENHI-PROJECT-26460034
[Journal Article] Prediction of Three-dimensional Structures and Structural Flexibilities of Wild-type and Mutant Cytochrome P450 1A2 using Molecular Dynamics Simulations2016
- Author(s)
  Y. Watanabe, S. Fukuyoshi, M. Hiratsuka, N. Yamaotsu, S. Hirono, O. Takahashi, A. Oda
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 68 Pages: 48-56
- DOI
  10.1016/j.jmgm.2016.06.006
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-15H01064, KAKENHI-PROJECT-26460034
[Journal Article] Effects of initial settings on computational protein-ligand docking accuracies for several docking programs2015
- Author(s)
  Akifumi Oda, Noriyuki Yamaotsu, Shuichi Hirono, Yurie Watanabe, Shuichi Fukuyoshi, Ohgi Takahashi
- Journal Title
  
  Molecular Simulation
  
  Volume: 41 Issue: 10-12 Pages: 1027-1034
- DOI
  10.1080/08927022.2014.917300
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PUBLICLY-15H01064
[Journal Article] Development of a novel class of tubulin inhibitor from desmosdumotin B with a hydroxylated bicyclic B-ring2015
- Author(s)
  Nakagawa-Goto K, Oda A, Hamel E, Ohkoshi E, Bastow KF, Lee KH, Goto M
- Journal Title
  
  J Med Chem
  
  Volume: 58 Issue: 5 Pages: 2378-2389
- DOI
  10.1021/jm501859j
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25293024, KAKENHI-PROJECT-26460034, KAKENHI-PUBLICLY-15H01064, KAKENHI-PROJECT-25670054
[Journal Article] Prediction of binding modes between protein L-isoaspartyl (D-aspartyl) O-methyltransferase and peptide substrates including isomerized aspartic acid residues using in silico analytic methods for the substrate screening2015
- Author(s)
  Akifumi Oda, Ikuhiko Noji, Shuichi Fukuyoshi, Ohgi Takahashi
- Journal Title
  
  Journal of Pharmaceutical and Biomedical Analysis
  
  Volume: 印刷中 Pages: 116-122
- DOI
  10.1016/j.jpba.2015.02.030
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PUBLICLY-15H01064
[Journal Article] Functional characterization of 20 allelic variants of CYP1A22015
- Author(s)
  Miyabi Ito, Yuki Katono, Akifumi Oda, Noriyasu Hirasawa, Masahiro Hiratsuka
- Journal Title
  
  Drug Metabolism and Pharmacokinetics
  
  Volume: 30 Issue: 3 Pages: 247-252
- DOI
  10.1016/j.dmpk.2015.03.001
- NAID
  50014429958
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PUBLICLY-15H01064
[Journal Article] Functional characterization of 12 allelic variants of CYP2C8 by assessment of paclitaxel 6α-hydroxylation and amodiaquine N-deethylation2015
- Author(s)
  Chiharu Tsukada, Takahiro Saito, Masamitsu Maekawa, Nariyasu Mano, Akifumi Oda, Noriyasu Hirasawa, Masahiro Hiratsuka
- Journal Title
  
  Drug Metabolism and Pharmacokinetics
  
  Volume: 30 Issue: 5 Pages: 366-373
- DOI
  10.1016/j.dmpk.2015.07.003
- NAID
  50014429976
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PUBLICLY-15H01064
[Journal Article] Design and Synthesis of Carborane-containing Estrogen Receptor-beta (ERβ)-Selective Ligands2015
- Author(s)
  Kiminori Ohta, Takumi Ogawa, Akifumi Oda, Asako Kaise, Yasuyuki Endo
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: 25 Issue: 19 Pages: 4174-4178
- DOI
  10.1016/j.bmcl.2015.08.007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PROJECT-26460151, KAKENHI-PUBLICLY-15H01064
[Journal Article] Biochemical, biological and structural properties of romidepsin (FK228) and its analogs as novel HDAC/PI3K dual inhibitors.2015
- Author(s)
  2.Saijo, K.，Imamura, J.，Narita, K.，Oda, A.，Shimodaira, H.，Katoh, T.，Ishioka, C.
- Journal Title
  
  Cancer Sci
  
  Volume: 106 Issue: 2 Pages: 208-215
- DOI
  10.1111/cas.12585
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24300339, KAKENHI-PROJECT-24590017, KAKENHI-PROJECT-25830110, KAKENHI-PROJECT-26460034, KAKENHI-PROJECT-15K07865
[Journal Article] Comparison of photoreactions of flutamide in acetonitrile and 2-propanol solvents in the absence of cage-forming compounds2015
- Author(s)
  Yurie Watanabe, Shuichi Fukuyoshi, Akifumi Oda
- Journal Title
  
  Journal of Photochemistry and Photobiology A: Chemistry
  
  Volume: 298 Pages: 55-61
- DOI
  10.1016/j.jphotochem.2014.10.009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034
[Journal Article] Predicting three-dimensional conformations of peptides constructed of only glycine, alanine, aspartic acid, and valine2015
- Author(s)
  Akifumi Oda, Shuichi Fukuyoshi
- Journal Title
  
  Origins of Life and Evolution of Biospheres
  
  Volume: 印刷中 Issue: 1-2 Pages: 183-193
- DOI
  10.1007/s11084-015-9418-5
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PUBLICLY-15H01064
[Journal Article] Electrocardiographic QRS Fragmentation as a Marker for Myocardial Fibrosis in Hypertrophic Cardiomyopathy.2015
- Author(s)
  Konno T, Hayashi K, Fujino N, Oka R, Nomura A, Nagata Y, Hodatsu A, Sakata K, Furusho H, Takamura M, Nakamura H, Kawashiri MA, Yamagishi M.
- Journal Title
  
  J Cardiovasc Electrophysiol.
  
  Volume: 26 Issue: 10 Pages: 1081-1087
- DOI
  10.1111/jce.12742
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15K09118, KAKENHI-PROJECT-15K09134, KAKENHI-PROJECT-26460670, KAKENHI-PROJECT-26460742, KAKENHI-PROJECT-25670295, KAKENHI-PROJECT-25860589
[Journal Article] Estrogenic activity of bis(4-hydroxyphenyl)methanes with cyclic hydrophobic structure2015
- Author(s)
  Tomohiro Kojima, Takumi Ogawa, Souichiro Kitao, Manabu Sato, Akifumi Oda, Kiminori Ohta, Yasuyuki Endo
- Journal Title
  
  Bioorganic & Medicinal Chemistry
  
  Volume: 23 Issue: 21 Pages: 6900-6911
- DOI
  10.1016/j.bmc.2015.09.046
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PROJECT-26460151, KAKENHI-PUBLICLY-15H01064
[Journal Article] Functional characterization of 21 CYP2C19 allelic variants for clopidogrel 2-oxidation2015
- Author(s)
  M. Takahashi, T. Saito, M. Ito, C. Tsukada, Y. Katono, H. Hosono, M. Maekawa, M. Shimada, N. Mano, A. Oda, N. Hirasawa, M. Hiratsuka
- Journal Title
  
  The Pharmacogenomics Journal
  
  Volume: 15 Issue: 1 Pages: 26-32
- DOI
  10.1038/tpj.2014.30
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034
[Journal Article] Right ventricular hypertrophy is associated with cardiovascular events in hypertrophic cardiomyopathy: evidence from study with magnetic resonance imaging.2015
- Author(s)
  Nagata Y, Konno T, Fujino N, Hodatsu A, Nomura A, Hayashi K, Nakamura H, Kawashiri MA, Yamagishi M.
- Journal Title
  
  Can J Cardiol.
  
  Volume: 31 Issue: 6 Pages: 702-708
- DOI
  10.1016/j.cjca.2014.12.036
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15K09118, KAKENHI-PROJECT-15K09134, KAKENHI-PROJECT-26460670, KAKENHI-PROJECT-26460742, KAKENHI-PROJECT-15H04783, KAKENHI-PROJECT-25670295, KAKENHI-PROJECT-25860589
[Journal Article] Investigation of photoreaction for 2-nitrobenzofuran and its 3-methyl derivative2015
- Author(s)
  Yurie Watanabe, Tomohiro Tanaka, Shuichi Fukuyoshi, Akifumi Oda
- Journal Title
  
  Journal of Photochemistry and Photobiology A: Chemistry
  
  Volume: 311 Pages: 137-143
- DOI
  10.1016/j.jphotochem.2015.06.024
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034, KAKENHI-PUBLICLY-15H01064
[Journal Article] 結合型D-アミノ酸についての計算機的研究2014
- Author(s)
  小田彰史
- Journal Title
  
  D-アミノ酸学会誌
  
  Volume: 2(1) Pages: 1-6
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Increased extent of myocardial fibrosis in genotyped hypertrophic cardiomyopathy with ventricular tachyarrhythmias.2014
- Author(s)
  Fujita T, Konno T, Yokawa J, Masuta E, Nagata Y, Fujino N, Funada A, Hodatsu A, Kawashiri MA, Yamagishi M, Hayashi K.
- Journal Title
  
  J Cardiol.
  
  Volume: in press Issue: 1 Pages: 63-68
- DOI
  10.1016/j.jjcc.2014.10.002
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-24591041, KAKENHI-PROJECT-25460648, KAKENHI-PROJECT-15K09134, KAKENHI-PROJECT-26460742, KAKENHI-PROJECT-25860589
[Journal Article] Fragmented QRS Predicts Heart Failure Progression in Patients With Hypertrophic Cardiomyopathy2014
- Author(s)
  Nomura A, Konno T, Fujita T, Tanaka Y, Nagata Y, Tsuda T, Hodatsu A, Sakata K, Nakamura H, Kawashiri MA, Fujino N, Yamagishi M, Hayashi K.
- Journal Title
  
  Circ J
  
  Volume: 79 Issue: 1 Pages: 136-143
- DOI
  10.1253/circj.CJ-14-0822
- NAID
  130004704014
- ISSN
  1346-9843, 1347-4820
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-24591041, KAKENHI-PROJECT-24790748, KAKENHI-PROJECT-26460670, KAKENHI-PROJECT-26460742, KAKENHI-PROJECT-15K09134
[Journal Article] Functional Characterization of Wild-type and 49 CYP2D6 Allelic Variants for <i>N</i>-Desmethyltamoxifen 4-Hydroxylation Activity2014
- Author(s)
  Yuka Muroi, Takahiro Saito, Masamitsu Takahashi, Kanako Sakuyama, Yui Niinuma, Miyabi Ito, Chiharu Tsukada, Kiminori Ohta, Yasuyuki Endo, Akifumi Oda, Noriyasu Hirasawa, Masahiro Hiratsuka
- Journal Title
  
  Drug Metabolism and Pharmacokinetics
  
  Volume: 29 Issue: 5 Pages: 360-366
- DOI
  10.2133/dmpk.DMPK-14-RG-014
- NAID
  130004463395
- ISSN
  1347-4367, 1880-0920
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460034
[Journal Article] Predicting the structures of complexes between phosphoinositide 3-kinase (PI3K) and romidepsin-related compounds for the drug design of PI3K/histone deacetylase dual inhibitors using computational docking and the ligand-based drug design approach.2014
- Author(s)
  Oda, A.，Saijo, K.，Ishioka, C.，Narita, K.，Katoh, T.，Watanabe, Y.，Fukuyoshi, S.，Takahashi, O.
- Journal Title
  
  J Mol Graph Model
  
  Volume: 54 Pages: 46-53
- DOI
  10.1016/j.jmgm.2014.08.007
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24300339, KAKENHI-PROJECT-24590017, KAKENHI-PROJECT-26460034
[Journal Article] Evaluation of influence of single nucleotide polymorphisms in cytochrome P450 2B6 on substrate recognition using computational docking and molecular dynamics simulation2014
- Author(s)
  Kana Kobayashi, Ohgi Takahashi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Yurie Watanabe, Akifumi Oda
- Journal Title
  
  PLOS ONE
  
  Volume: 9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Multi-objective Optimizations for Selections of Protein-Ligand Docking Poses using Pareto Optima as a Consensus Score2014
- Author(s)
  Akifumi Oda, Shuichi Fukuyoshi, Ryoichi Nakagaki, Ohgi Takahashi
- Journal Title
  
  JPS Conference Proceedings
  
  Volume: 1 Pages: 16005-16005
- DOI
  10.7566/jpscp.1.016005
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Effects of initial settings on computational protein-ligand docking accuracies for several docking programs2014
- Author(s)
  Akifumi Oda, Noriyuki Yamaotsu, Shuichi Hirono, Yurie Watanabe, Shuichi Fukuyoshi, Ohgi Takahashi
- Journal Title
  
  Molecular Simulation
  
  Volume: 40
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Rapid proliferation of activated lymph node CD4+ T Cells is achieved by eliminating gap phases in cell cycle progression.2014
- Author(s)
  Mishima, T., Toda, S., Ando, Y., Matsunaga, T. and Inobe, M.
- Journal Title
  
  Cell. Mol. Biol. Lett.
  
  Volume: 19 Issue: 4 Pages: 638-648
- DOI
  10.2478/s11658-014-0219-z
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-24510068, KAKENHI-PROJECT-25281017, KAKENHI-PROJECT-25640089
[Journal Article] Evaluation of influence of single nucleotide polymorphisms in cytochrome P450 2B6 on substrate recognition using computational docking and molecular dynamics simulation2014
- Author(s)
  K. Kobayashi, O. Takahashi, M. Hiratsuka, N. Yamaotsu, S. Hirono, Y. Watanabe, A. Oda
- Journal Title
  
  PLOS ONE
  
  Volume: 9(5) Issue: 5 Pages: 96789-96789
- DOI
  10.1371/journal.pone.0096789
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Structural Prediction of [GADV]-Proteins Using Threading and Ab initio Modeling for Investigations of the Origin of Life2013
- Author(s)
  小田彰史、福吉修一、中垣良一
- Journal Title
  
  J. Comput. Aided Chem.
  
  Volume: 14 Issue: 0 Pages: 23-35
- DOI
  10.2751/jcac.14.23
- NAID
  130004428037
- ISSN
  1345-8647
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Evaluations of the conformational search accuracy of CAMDAS using experimental three-dimensional structures of protein-ligand complexes2013
- Author(s)
  A. Oda, N. Yamaotsu, S. Hirono, Y. Takano, S. Fukuyoshi, R. Nakagaki, O. Takahashi
- Journal Title
  
  J. Phys. : Conf. Ser
  
  Volume: 454 Pages: 12028-12028
- DOI
  10.1088/1742-6596/454/1/012028
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Determination of AMBER Force Field Parameters for Thioester by Quantum Chemical Calculations2013
- Author(s)
  Akifumi Oda, Shuichi Fukuyoshi, Ryoichi Nakagaki, and Ohgi Takahashi
- Journal Title
  
  Chemistry Letters
  
  Volume: 42 Issue: 10 Pages: 1206-1208
- DOI
  10.1246/cl.130517
- NAID
  10031201311
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Computational Studies on the Repair Mechanism of Peptides Including Isomerized Aspartic Acid Residues by Protein L-Isoaspartyl (D-Aspartyl) O-Methyltransferase2012
- Author(s)
  Akifumi Oda, Ikuhiko Noji, Kana Kobayashi, Shuichi Fukuyoshi, Ryoichi Nakagaki, Ohgi Takahashi
- Journal Title
  
  Peptide Science
  
  Volume: 2012 Pages: 253-256
- NAID
  10031161619
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Computational studies on the repair mechanism of peptides including isomerized aspartic acid residues by protein L-isoaspartyl (D-aspartyl) O-methyltransferase2012
- Author(s)
  A. Oda, I. Noji, K. Kobayashi, S. Fukuyoshi, Nakagaki, O. Takahashi
- Journal Title
  
  Peptide Sci
  
  Pages: 253-256
- NAID
  10031161619
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Development of Androgen Recby Application of Ten-vertex p-Carborane as a Novel Hydrophobic Core Structure2012
- Author(s)
  Shinya Fujii, Kiminori Ohta, Tokuhito Goto, Akifumi Oda, Hiroyuki Masuno, Ysuyuki Endo, Hiroyuki Kagechika
- Journal Title
  
  Med. Chem. Commun
  
  Volume: 3 Issue: 6 Pages: 680-684
- DOI
  10.1039/c2md00294a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20390035, KAKENHI-PROJECT-23659051, KAKENHI-PROJECT-23790128, KAKENHI-PROJECT-23790137, KAKENHI-PROJECT-24790115, KAKENHI-PLANNED-22136013
[Journal Article] Romidepsin (FK228) and its analogs directly inhibit PI3K activity and potently induce apoptosis as HDAC/PI3K dual inhibitors2012
- Author(s)
  Ken Saijo, Tadashi Katoh, Hideki Shimodaira, Akifumi Oda, Ohgi Takahashi, Chikashi Ishioka
- Journal Title
  
  Cancer Science
  
  Volume: 103 Issue: 11 Pages: 1994-2001
- DOI
  10.1111/cas.12002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137, KAKENHI-PROJECT-24300339, KAKENHI-PROJECT-24590017
[Journal Article] FADおよびFADH2存在下におけるD-アスパラギン酸酸化酵素とD-アスパラギン酸のドッキングシミュレーション2011
- Author(s)
  小林佳奈, 村上知之, 吉田崇志, 小田彰史, 高橋央宜
- Journal Title
  
  東北薬科大学研究誌
  
  Volume: 58 Pages: 35-40
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Journal Article] Brownian dynamics simulations of a wild type and mutants of bovine pancreatic trypsin inhibitors2008
- Author(s)
  小田彰史
- Journal Title
  
  Biological & Pharmaceutical Bulletin 31
  
  Pages: 2182-2186
- NAID
  110007005012
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850019
[Journal Article] ウリジンニリン酸グルクロン酸転移酵素IAIの立体構造予測2008
- Author(s)
  小田彰史
- Journal Title
  
  東北薬科大学研究誌 55
  
  Pages: 85-90
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850019
[Journal Article] Brownian dynamics simulations of a wild type and mutants of bovine pancreatic trypsin inhibitors2008
- Author(s)
  Akifumi Oda, Noriyuki Yamaotsu, Shuichi Hirono, Ohgi Takahashi
- Journal Title
  
  Biological & Pharmaceutical Bulletin 31
  
  Pages: 2182-2186
- NAID
  110007005012
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850019
[Journal Article] ウリジン二リン酸グルクロン酸転移酵素1A1の立体構造予測2008
- Author(s)
  小田彰史, 小林佳奈, 高橋央宜
- Journal Title
  
  東北薬科大学研究誌 55
  
  Pages: 85-90
- NAID
  110008750893
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850019
[Journal Article] Effects of initial settings on computational protein-ligand docking accuracies for several docking programs
- Author(s)
  A. Oda, N. Yamaotsu, S. Hirono, Y. Watanabe, S. Fukuyoshi, O. Takahashi
- Journal Title
  
  Mol. Simul
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] 分子動力学シミュレーションによる野生型および変異型CYP2A13の立体構造の推定2020
- Author(s)
  日置翔、仲吉朝希、加藤紘一、平塚真弘、栗本英治、小田彰史
- Organizer
  日本薬学会第140年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] ヒトおよびイヌのカルボキシルエステラーゼ2の分子動力学シミュレーション2020
- Author(s)
  中野裕二朗、仲吉朝希、加藤紘一、深見達基、中島美紀、栗本英治、小田彰史
- Organizer
  日本薬学会第140年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Computational Analysis on Deamidation Mechanisms of Asparagine Residues Catalyzed by Acetic Acid2020
- Author(s)
  Tomoki Nakayoshi, Kota Wanita, Koichi Kato, Eiji Kurimoto, Akifumi Oda
- Organizer
  60th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Computational Studies on Pyroglutamylation Mechanism of N-Terminal Glutamic Acid Residues in Aqueous Conditions2019
- Author(s)
  Tomoki Nakayoshi, Koichi Kato, Eiji Kurimoto, Akifumi Oda
- Organizer
  59th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Functional characterization of 11 allelic variants of CYP2C9 identified in 3554 Japanese individuals2019
- Author(s)
  Kumondai M, Ito A, Saito T, Saito S, Yasuda J, Nagasaki M, Kinoshita K, Yamamoto M, Oda A, Hirasawa N, Hiratsuka M
- Organizer
  International Conferences on Cytochrome P450
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Computational studies on nonenzymatic succinimide-formation mechanisms of the aspartic acid residues catalyzed by two water molecules2019
- Author(s)
  Tomoki Nakayoshi, Koichi Kato, Ohgi Takahashi, Eiji Kurimoto, Akifumi Oda
- Organizer
  The 4th International Conference of D-Amino Acid Research
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Effects of main chain conformations on succinimide formation from asparagine residues2019
- Author(s)
  Koichi Kato, Kaho Miura, Tomoki Nakayoshi, Kikuo Tsukamoto, Eiji Kurimoto, Akifumi Oda
- Organizer
  The 4th International Conference of D-Amino Acid Research
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 分子動力学シミュレーションによるCYP2C8変異体の立体構造解析2019
- Author(s)
  仲吉朝希、加藤紘一、松浦絵梨、平塚真弘、栗本英治、小田彰史
- Organizer
  日本コンピュータ化学会2019秋季年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Influence of the conformations of alpha A-crystallin peptides on the isomerization rates of aspartic acid residues2019
- Author(s)
  Tomoki Nakayoshi, Koichi Kato, Eiji Kurimoto, Akifumi Oda
- Organizer
  The 4th International Conference of D-Amino Acid Research
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 分子動力学シミュレーションによる野生型および変異型ジヒドロピリミジナーゼの構造解析2019
- Author(s)
  名倉鮎香、仲吉朝希、加藤紘一、平塚真弘、栗本英治、小田彰史
- Organizer
  第65回日本薬学会東海支部大会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] GADVアミノ酸セットにグルタミン酸が加わることの構造生物学的意味2019
- Author(s)
  小田彰史、仲吉朝希、加藤紘一、森部聖士、野田奈津子、栗本英治
- Organizer
  生命の起原および進化学会第44回学術講演会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 野生型および変異型ジヒドロピリミジナーゼの分子動力学シミュレーション2019
- Author(s)
  名倉鮎香、仲吉朝希、加藤紘一、平塚真弘、栗本英治、小田彰史
- Organizer
  日本薬学会第139年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 酵素で制御されていない生体内反応についての計算化学的研究2019
- Author(s)
  小田彰史
- Organizer
  第7回物理・分析系若手研究者セミナー
- Invited
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 日本人3554人の全ゲノム解析から同定されたジヒドロピリミジナーゼ遺伝子多型におけるバリアント酵素の機能変化2019
- Author(s)
  成田瑶子、菱沼英史、齋藤さかえ、安田純、長﨑正朗、前川正充、小田彰史、平澤典保、平塚真弘
- Organizer
  日本薬学会第139年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 分子動力学シミュレーションを用いた野生型および変異型CYP2A6の立体構造の推定2019
- Author(s)
  野倉里香、仲吉朝希、加藤紘一、松浦絵梨、平塚真弘、栗本英治、小田彰史
- Organizer
  日本薬学会第139年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Theoretical study for the influence of Asp-residue stereoinversion and/or isomerization on the three-dimensional structure of ribonuclease A2018
- Author(s)
  Tomoki Nakayoshi, Koichi Kato, Eiji Kurimoto, Akifumi Oda
- Organizer
  22nd European Symposium on Quantitative Structure-Activity Relationships
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 分子動力学シミュレーションによる野生型および変異型シトクロムP450 2C8 の構造および柔軟性の評価2018
- Author(s)
  松浦絵梨、仲吉朝希、加藤紘一、平塚真弘、栗本英治、小田彰史
- Organizer
  第64回日本薬学会東海支部大会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Modification of pH-dependence for coiled-coil assembly by introducing glutamate residue to the hydrophobic surface: computational design and experimental mutagenesis2018
- Author(s)
  Koichi Kato, Tomoki Nakayoshi, Eiji Kurimoto, Akifumi Oda
- Organizer
  22nd European Symposium on Quantitative Structure-Activity Relationships
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Prediction of three-dimensional structures of histone deacetylase 1 complexed with romidepsin and its analog2017
- Author(s)
  Akifumi Oda, Koichi Kato, Mayu Morino, Tomoki Nakayoshi, Shuichi Fukuyoshi, Ken Saijo, Chikashi Ishioka, Eiji Kurimoto
- Organizer
  XXIX IUPAP Conference on Computational Physics
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] A computational study of racemization mechanism of aspartate residue catalyzed by phosphate ion2017
- Author(s)
  Tomoki Nakayoshi, Shuichi Fukuyoshi, Ohgi Takahashi, Akifumi Oda
- Organizer
  The 57th Sanibel Symposium
- Place of Presentation
  St. Simons Island（USA）
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] ラセミ体のアミノ酸から構築された原始タンパク質の立体構造の推定2017
- Author(s)
  小田彰史、仲吉朝希、加藤紘一、福吉修一、栗本英治
- Organizer
  日本薬学会第138年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Analysis of functional segments in the coiled coil domains of yeast cargo receptors Emp46p/47p and application to pH sensitive devices2017
- Author(s)
  Koichi Kato, Yukiho Shimizu, Eiji Kurimoto, Akifumi Oda
- Organizer
  19th International Union of Pure and Applied Biophysics and 11th European Biophysical Societies' Association Congress
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] 計算機によるドッキングで得られた複合体構造候補に対する分子動力学シミュレーション2017
- Author(s)
  小田彰史、加藤紘一、仲吉朝希、福吉修一、栗本英治
- Organizer
  第45回構造活性相関シンポジウム
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] ヒトプロテアソームα 6, α 7 サブユニットにより形成されるリングを応用したタンパク質の集積化2017
- Author(s)
  栗本英治、神藤彩加、橋本友佳、小田彰史
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際会議場（宮城県仙台市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Influences of conformations of peptides on stereoinversions and/or isomerizations of aspartic acid residues2017
- Author(s)
  Akifumi Oda, Tomoki Nakayoshi, Shuichi Fukuyoshi, Eiji Kurimoto, Ohgi Takahashi
- Organizer
  The 3rd International Conference of D-Amino Acid Research
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] ドッキングポーズの選別を分子動力学シミュレーションによって行うことは可能か2017
- Author(s)
  小田彰史、福吉修一、栗本英治
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際会議場（宮城県仙台市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 21種類のジヒドロピリミジナーゼ遺伝子多型バリアントの機能解析2017
- Author(s)
  菱沼英史、赤井文香、成田瑶子、前川正充、山口浩明、眞野成康、小田彰史、平澤典保、平塚真弘
- Organizer
  日本薬物動態学会第32回年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] D-アミノ酸を含んだ[GADV]-ペプチドの配座探索2017
- Author(s)
  小田彰史、福吉修一、栗本英治
- Organizer
  生命の起原および進化学会第42回学術講演会
- Place of Presentation
  九州工業大学（福岡県飯塚市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] ニコチンC-酸化活性およびクマリン7-水酸化活性におけるCYP2A13遺伝子多型バリアント酵素の機能変化2017
- Author(s)
  公文代將希、細野寛貴、前川正充、小田彰史、平澤典保、平塚真弘
- Organizer
  日本薬物動態学会第32回年会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] A computational study of racemization mechanism of aspartate residue catalyzed by phosphate ion2017
- Author(s)
  Tomoki Nakayoshi, Shuichi Fukuyoshi, Ohgi Takahashi, Akifumi Oda
- Organizer
  The 57th Sanibel Symposium
- Place of Presentation
  St. Simons Island （USA）
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] アミノ酸残基の非酵素的反応はタンパク質構成選択に影響を与えたか2017
- Author(s)
  仲吉朝希、加藤紘一、福吉修一、栗本英治、小田彰史
- Organizer
  生命の起原および進化学会第43回学術講演会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] リン酸触媒によるスクシンイミド中間体を経由しないアスパラギン酸残基のラセミ化反応機構2017
- Author(s)
  仲吉朝希、福吉修一、高橋央宜、小田彰史
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際会議場（宮城県仙台市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] 日本人2049人の全ゲノム解析から同定された8種のDHPレアバリント活性変化2017
- Author(s)
  成田瑶子、菱沼英史、齋藤さかえ、安田純、長﨑正朗、前川正充、小田彰史、平澤典保、平塚真弘
- Organizer
  第56回日本薬学会東北支部大会
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Validation of molecular force field parameters for D-amino acids using quantum chemical calculations of model peptides2017
- Author(s)
  Akifumi Oda, Tomoki Nakayoshi, Shuichi Fukuyoshi, Eiji Kurimoto, Noriyuki Yamaotsu, Shuichi Hirono, Ohgi Takahashi
- Organizer
  Chirality 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] Evaluations of Density Functionals and Solvation Effect for Racemization Reaction of Amino Acid Residues2017
- Author(s)
  Shuichi Fukuyoshi, Tomoki Nakayoshi, Ohgi Takahashi, Akifumi Oda
- Organizer
  The 57th Sanibel Symposium
- Place of Presentation
  St. Simons Island（USA）
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Effect of the Arg456His mutation on the threedimensional structure of cytochrome P450 1A2 predicted by molecular dynamics simulations2017
- Author(s)
  Yurie Watanabe, Koichi Kato, Shuichi Fukuyoshi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Hiroaki Gouda, Akifumi Oda
- Organizer
  XXIX IUPAP Conference on Computational Physics
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K08257
[Presentation] アスパラギン酸残基のラセミ化反応における計算化学的研究2017
- Author(s)
  福吉修一、仲吉朝希、高橋央宜、小田彰史
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際会議場（宮城県仙台市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] 酵母輸送タンパク質Emp46p/47p コイルドコイルドメインのpH 依存的複合体形成における機能セグメントの抽出2017
- Author(s)
  加藤紘一、池畑美帆、小田彰史、栗本英治
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際会議場（宮城県仙台市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Evaluations of Density Functionals and Solvation Effect for Racemization Reaction of Amino Acid Residues2017
- Author(s)
  Shuichi Fukuyoshi, Tomoki Nakayoshi, Ohgi Takahashi, Akifumi Oda
- Organizer
  The 57th Sanibel Symposium
- Place of Presentation
  St. Simons Island （USA）
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 日本人集団で新規に同定されたCYP2C19遺伝子多型バリアントの機能評価2016
- Author(s)
  齋藤雄大、高橋理充、小田彰史、前川正充、三枝大輔、平澤典保、平塚真弘
- Organizer
  日本薬物動態学会第31回年会
- Place of Presentation
  キッセイ文化ホール（長野県松本市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 酵母輸送タンパク質Emp46p/47pのコイルドコイルのプロリン変異によるpH依存的会合特性の変化2016
- Author(s)
  加藤紘一、古橋隆久、小田彰史、栗本英治
- Organizer
  第89回日本生化学会大会
- Place of Presentation
  仙台国際会議場（宮城県仙台市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] CYP2A6遺伝子多型バリアント酵素の機能変化2016
- Author(s)
  公文代將希、細野寛貴、前川正充、小田彰史、平澤典保、平塚真弘
- Organizer
  日本薬物動態学会第31回年会
- Place of Presentation
  キッセイ文化ホール（長野県松本市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Evaluations of Force Field Parameters for D-Amino Acid Residues Using Density Functional Theory2016
- Author(s)
  Akifumi Oda, Ohgi Takahashi, Shuichi Fukuyoshi
- Organizer
  56th Sanibel Symposium
- Place of Presentation
  King and Prince Hotel, St. Simons Island (USA)
- Year and Date
  2016-02-16
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Evaluations of Force Field Parameters for D-Amino Acid Residues Using Density Functional Theory2016
- Author(s)
  Akifumi Oda, Ohgi Takahashi, Shuichi Fukuyoshi
- Organizer
  56th Sanibel Symposium
- Place of Presentation
  King and Prince Hotel, St. Simons Island (USA)
- Year and Date
  2016-02-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] A computational study of water-assisted cyclization mechanism of glutamate residue2016
- Author(s)
  Tomoki NAKAYOSHI, Shuichi FUKUYOSHI, Ohgi TAKAHASHI, Akifumi ODA
- Organizer
  第44回構造活性相関シンポジウム
- Place of Presentation
  京都大学（京都府京都市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] タンパク質中グルタミン酸異性化反応経路に対する計算化学的考察2016
- Author(s)
  福吉修一、仲吉朝希、高橋央宜、小田彰史
- Organizer
  第12回D-アミノ酸学会学術講演会
- Place of Presentation
  高知大学（高知県高知市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] [GADV]-ペプチドと[GADS]-ペプチドの2次構造形成能の比較2016
- Author(s)
  小田彰史、仲吉朝希、福吉修一
- Organizer
  第41回生命の起原および進化学会学術講演会
- Place of Presentation
  鳴門教育大学（鳴門）
- Year and Date
  2016-03-15
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Theoretical study on keto-enol tautomerization of glutarimide for exploration of the isomerization reaction pathway of glutamic acid in proteins using density functional theory2016
- Author(s)
  Shuichi Fukuyoshi, Tomoki Nakayoshi, Ohgi Takahashi, Akifumi Oda
- Organizer
  56th Sanibel Symposium
- Place of Presentation
  King and Prince Hotel, St. Simons Island (USA)
- Year and Date
  2016-02-17
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 全ゲノム解析から同定された CYP2C9レアバリアント解析評価2016
- Author(s)
  伊藤暁生、齋藤雄大、長﨑正朗、齋藤さかえ、安田純、小田彰史、平澤典保、平塚真弘
- Organizer
  第55回日本薬学会東北支部大会
- Place of Presentation
  奥羽大学（福島県郡山市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 分子動力学シミュレーションを用いたCYP1A2の基質認識における水分子の役割の予測2016
- Author(s)
  渡邉友里江、福吉修一、平塚真弘、山乙教之、広野修一、小田彰史
- Organizer
  日本薬学会第136年会
- Place of Presentation
  パシフィコ横浜（横浜）
- Year and Date
  2016-03-29
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] なぜタンパク質は主にL-アミノ酸のみから構築されているのか：構造バイオインフォマティクス手法による推定2016
- Author(s)
  小田彰史、仲吉朝希、福吉修一
- Organizer
  日本薬学会第136年会
- Place of Presentation
  パシフィコ横浜（横浜）
- Year and Date
  2016-03-28
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] D-アミノ酸を含んだ原始タンパク質の立体構造の推定2016
- Author(s)
  小田彰史、福吉修一、栗本英治
- Organizer
  第12回D-アミノ酸学会学術講演会
- Place of Presentation
  高知大学（高知県高知市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] 水分子のアシストするタンパク質内グルタミン酸残基のラセミ化反応についての計算化学的検討2016
- Author(s)
  仲吉朝希、福吉修一、高橋央宜、小田彰史
- Organizer
  第12回D-アミノ酸学会学術講演会
- Place of Presentation
  高知大学（高知県高知市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Analysis for assembling mechanism of coiledcoil domains in yeast cargo receptor Emp46p/47p and modification of pH-dependence for the complex formation2016
- Author(s)
  Koichi KATO, Takahisa FURUHASHI, Eiji, KURIMOTO, Akifumi ODA
- Organizer
  第44回構造活性相関シンポジウム
- Place of Presentation
  京都大学（京都府京都市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] CONFORMATIONAL ENERGIES AND MOLECULAR FORCE FIELD PARAMETERS FOR NITRONYL NITROXIDE OBTAINED BY QUANTUM CHEMICAL CALCULATIONS2016
- Author(s)
  Akifumi Oda, Shuichi Fukuyoshi
- Organizer
  The 15th International Conference on Molecule-Based Magnets
- Place of Presentation
  Sendai International Center （Sendai）
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 限られたアミノ酸のみから原始タンパク質が構築できるか？2016
- Author(s)
  小田彰史
- Organizer
  科学研究費補助金新学術領域研究「冥王代生命学の創成」平成28年度中規模ワークショップ
- Place of Presentation
  東京工業大学（東京都目黒区）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] CONFORMATIONAL ENERGIES AND MOLECULAR FORCE FIELD PARAMETERS FOR NITRONYL NITROXIDE OBTAINED BY QUANTUM CHEMICAL CALCULATIONS2016
- Author(s)
  Akifumi Oda, Shuichi Fukuyoshi
- Organizer
  The 15th International Conference on Molecule-Based Magnets
- Place of Presentation
  Sendai International Center （Sendai）
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] ヒトプロテアソームα6,α7サブユニットにより形成されるリングをベースとしたタンパク質の集積化2016
- Author(s)
  神藤彩加、石原利紗、小田彰史、栗本英治
- Organizer
  第62回日本薬学会東海支部大会
- Place of Presentation
  愛知学院大学（愛知県名古屋市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 水分子のアシストするAsp-Pro配列におけるAspの異性化反応経路探索2016
- Author(s)
  仲吉朝希、福吉修一、高橋央宜、小田彰史
- Organizer
  日本薬学会北陸支部第128回例会
- Place of Presentation
  北陸大学（石川県金沢市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Computational study of isomerization reaction route of the aspartic acid2016
- Author(s)
  Shuichi FUKUYOSHI, Tomoki NAKAYOSHI, Ohgi TAKAHASHI, Akifumi ODA
- Organizer
  第44回構造活性相関シンポジウム
- Place of Presentation
  京都大学（京都府京都市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Theoretical study on keto-enol tautomerization of glutarimide for exploration of the isomerization reaction pathway of glutamic acid in proteins using density functional theory2016
- Author(s)
  Shuichi Fukuyoshi, Tomoki Nakayoshi, Ohgi Takahashi, Akifumi Oda
- Organizer
  56th Sanibel Symposium
- Place of Presentation
  King and Prince Hotel, St. Simons Island (USA)
- Year and Date
  2016-02-17
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Three dimensional structures of primitive proteins generated in the racemic amino acid pool2016
- Author(s)
  Akifumi ODA, Shuichi FUKUYOSHI, Eiji KURIMOTO
- Organizer
  第44回構造活性相関シンポジウム
- Place of Presentation
  京都大学（京都府京都市）
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] タンパク質中グルタルイミドのエノール化反応経路探索2016
- Author(s)
  福吉修一、仲吉朝希、高橋央宜、小田彰史
- Organizer
  日本薬学会第136年会
- Place of Presentation
  パシフィコ横浜（横浜）
- Year and Date
  2016-03-28
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Evaluation of the structural features between estrogen receptor alpha and beta using molecular dynamics simulations2016
- Author(s)
  Kenichiro FUJII, Shuichi FUKUYOSHI, Noriyuki YAMAOTSU, Shuichi HIRONO, Akifumi ODA
- Organizer
  第44回構造活性相関シンポジウム
- Place of Presentation
  京都大学（京都府京都市）
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 密度汎関数法を用いたタンパク質中グルタミン酸の異性化経路探索2015
- Author(s)
  福吉修一、仲吉朝希、高橋央宜、小田彰史
- Organizer
  第11回D-アミノ酸学会学術講演会
- Place of Presentation
  シティホールプラザアオーレ長岡（長岡）
- Year and Date
  2015-08-25
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Solvent and substituent effect on lifetime of colored form of dinitrobenzylpyridine derivatives2015
- Author(s)
  Shuichi Fukuyoshi, Tomoki Nakayoshi, Yurie Watanabe, Akifumi Oda
- Organizer
  Pacifichem 2015
- Place of Presentation
  Hawaii Convention Center, Honolulu (USA)
- Year and Date
  2015-12-17
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Structural prediction of wild-type and mutant CYP1A2 complexed with 7-ethoxyresorufin using docking and molecular dynamics simulations2015
- Author(s)
  Yurie Watanabe, Shuichi Fukuyoshi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Akifumi Oda
- Organizer
  Pacifichem 2015
- Place of Presentation
  Hawaii Convention Center, Honolulu (USA)
- Year and Date
  2015-12-18
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] D-アミノ酸のための分子力場パラメータの開発および評価2015
- Author(s)
  小田彰史、福吉修一、高橋央宜
- Organizer
  第11回D-アミノ酸学会学術講演会
- Place of Presentation
  シティホールプラザアオーレ長岡（長岡）
- Year and Date
  2015-08-25
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Structural prediction of wild-type and mutant CYP1A2 complexed with 7-ethoxyresorufin using docking and molecular dynamics simulations2015
- Author(s)
  Yurie Watanabe, Shuichi Fukuyoshi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Akifumi Oda
- Organizer
  Pacifichem 2015
- Place of Presentation
  Hawaii Convention Center,Honolulu (USA)
- Year and Date
  2015-12-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Investigation of the substrate recognition for cytochrome P450 1A2 mediated by water molecules using docking and molecular dynamics simulations2015
- Author(s)
  渡邉友里江, 福吉修一, 平塚真弘, 山乙教之, 広野修一, 小田彰史
- Organizer
  第43回構造活性相関シンポジウム
- Place of Presentation
  新潟日報メディアシップ（新潟）
- Year and Date
  2015-09-29
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] D-アミノ酸のための分子力場パラメータの開発および評価2015
- Author(s)
  小田彰史、福吉修一、高橋央宜
- Organizer
  第11回D-アミノ酸学会学術講演会
- Place of Presentation
  シティホールプラザアオーレ長岡（長岡）
- Year and Date
  2015-08-25
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Solvent and substituent effect on lifetime of colored form of dinitrobenzylpyridine derivatives2015
- Author(s)
  Shuichi Fukuyoshi, Tomoki Nakayoshi, Yurie Watanabe, Akifumi Oda
- Organizer
  Pacifichem 2015
- Place of Presentation
  Hawaii Convention Center,Honolulu (USA)
- Year and Date
  2015-12-17
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Evaluation of structual differences between estrogen receptor α and β using the ligand binding site search program HBOP/HBSITE2015
- Author(s)
  Kenichiro Fujii, Shuichi Fukuyoshi, Noriyuki Yamaotsu, Shuichi Hirono, Akifumi Oda
- Organizer
  Pacifichem 2015
- Place of Presentation
  Hawaii Convention Center, Honolulu (USA)
- Year and Date
  2015-12-18
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] 小さいタンパク質の立体構造および二次構造を分子動力学法で予測できるか？2015
- Author(s)
  小田彰史、福吉修一
- Organizer
  日本薬学会第135年会
- Place of Presentation
  神戸サンボーホール（神戸）
- Year and Date
  2015-03-27
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Influence of Genetic Polymorphism on Complex Structure of CYP1A2 with 7-Ethoxyresorufin Predicted by Docking and Molecular Dynamics Simulation2015
- Author(s)
  Yurie Watanabe, Shuichi Fukuyoshi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Akifumi Oda
- Organizer
  19th International Conference on Cytochrome P450
- Place of Presentation
  National Olympics Memorial Youth Center (Tokyo)
- Year and Date
  2015-06-13
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Structural predictions of primitive proteins including only limited types of amino acids2015
- Author(s)
  Akifumi Oda
- Organizer
  8th Astrobiology Workshop
- Place of Presentation
  東京工業大学（東京）
- Year and Date
  2015-11-28
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Influence of Genetic Polymorphism on Complex Structure of CYP1A2 with 7-Ethoxyresorufin Predicted by Docking and Molecular Dynamics Simulation2015
- Author(s)
  Yurie Watanabe, Shuichi Fukuyoshi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Akifumi Oda
- Organizer
  19th International Conference on Cytochrome P450
- Place of Presentation
  National Olympics Memorial Youth Center (Tokyo)
- Year and Date
  2015-06-13
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 限られたアミノ酸のみからなる原始タンパク質の立体構造の推定2015
- Author(s)
  小田彰史、仲吉朝希、福吉修一
- Organizer
  日本コンピュータ化学会2015秋季年会
- Place of Presentation
  函館市地域交流まちづくりセンター（函館）
- Year and Date
  2015-10-31
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Fragmented QRS improves prediction ability of the Risk-SCD calculator for sudden cardiac death in Japanese patients with hypertrophic cardiomyopathy.2015
- Author(s)
  Teramoto R, Konno T, Tada H, Tsuda T, Hodatsu A, Sakata K, Hayashi K, Fujino N, Kawashiri MA, Yamagishi M.
- Organizer
  European Society of Cardiology, Annual congress in 2015
- Place of Presentation
  London, UK
- Year and Date
  2015-08-29
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K09134
[Presentation] Study of racemization reaction route of the glutamic acid assisted by water molecules2015
- Author(s)
  福吉修一, 仲吉朝希, 高橋央宜, 小田彰史
- Organizer
  第43回構造活性相関シンポジウム・第10回薬物の分子設計と開発に関する日中シンポジウム
- Place of Presentation
  新潟日報メディアシップ（新潟）
- Year and Date
  2015-09-28
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Structural comparison between wild-type and mutant N-acetyltransferase 2 using molecular dynamics simulation2015
- Author(s)
  村田瑛理子，福吉修一，山乙教之，広野修一，小田彰史
- Organizer
  第43回構造活性相関シンポジウム・第10回薬物の分子設計と開発に関する日中シンポジウム
- Place of Presentation
  新潟日報メディアシップ（新潟）
- Year and Date
  2015-09-28
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Evaluation of structual differences between estrogen receptor α and β using the ligand binding site search program HBOP/HBSITE2015
- Author(s)
  Kenichiro Fujii, Shuichi Fukuyoshi, Noriyuki Yamaotsu, Shuichi Hirono, Akifumi Oda
- Organizer
  Pacifichem 2015
- Place of Presentation
  Hawaii Convention Center,Honolulu (USA)
- Year and Date
  2015-12-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] タンパク質中グルタミン酸の分子内環化反応についての量子化学計算2015
- Author(s)
  仲吉朝希、福吉修一、高橋央宜、小田彰史
- Organizer
  日本薬学会北陸支部第127回例会
- Place of Presentation
  富山大学（富山）
- Year and Date
  2015-11-15
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] Structural predictions of primitive proteins including only limited types of amino acids2015
- Author(s)
  Akifumi Oda
- Organizer
  8th Astrobiology Workshop
- Place of Presentation
  東京工業大学（東京）
- Year and Date
  2015-11-28
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H01064
[Presentation] PI3KがHDAC阻害剤ロミデプシンを認識する機構の分子動力学シミュレーションによる解析2014
- Author(s)
  小田彰史,西條憲,石岡千加史,加藤正,福吉修一,中垣良一,高橋央宜
- Organizer
  日本薬学会第134年会
- Place of Presentation
  熊本大学(熊本)
- Year and Date
  2014-03-29
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] PREDICTIONS OF BINDING MODES BETWEEN PROTEIN L-ISOASPARTYL (D-ASPARTYL) O-METHYLTRANSFERASE AND LIGANDS2014
- Author(s)
  Akifumi ODA, Ikuhiko NOJI, Shuichi FUKUYOSHI, Ohgi TAKAHASHI
- Organizer
  The 2nd International Conference of D-Amino Acid Research
- Place of Presentation
  Tochigi Prefectural Culture Center (Utsunomiya)
- Year and Date
  2014-09-03
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 分子動力学法による小さいタンパク質の立体構造の推定2014
- Author(s)
  小田彰史、福吉修一
- Organizer
  第42回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ（熊本）
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] カルボランのAMBER力場パラメータの開発2014
- Author(s)
  小田彰史、太田公規、遠藤泰之、福吉修一
- Organizer
  第37回情報化学討論会
- Place of Presentation
  豊橋商工会議所（豊橋）
- Year and Date
  2014-11-28
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] 野生型および変異型CYP2B6 の柔らかさが薬物代謝に与える影響の推定2014
- Author(s)
  Akifumi Oda, Kana Kobayashi, Yurie Watanabe, Shuichi Fukuyoshi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Ohgi Takahashi
- Organizer
  第52回日本生物物理学会年会
- Place of Presentation
  札幌コンベンションセンター（札幌）
- Year and Date
  2014-09-27
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Investigations for Conformations of [GADV]-peptides Using Molecular Dynamics Simulations2014
- Author(s)
  Akifumi Oda, Shuichi Fukuyoshi
- Organizer
  Origins 2014
- Place of Presentation
  Nara Prefecture New Public Hall (Nara)
- Year and Date
  2014-07-08
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] タンパク質中D-アミノ酸残基のin silico解析2013
- Author(s)
  小田彰史
- Organizer
  ERATO浅野プロジェクト講演会・酵素化学工学セミナー
- Place of Presentation
  富山県立大学(射水)
- Year and Date
  2013-11-01
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] PI3KがHDAC阻害剤ロミデプシンを認識する機構についてリガンドベース手法と構造ベース手法を組み合わせて計算機的に解明する2013
- Author(s)
  小田彰史,西條憲,石岡千加史,加藤正,福吉修一,中垣良一,高橋央宜
- Organizer
  日本薬学会第133年会
- Place of Presentation
  パシフィコ横浜(横浜)
- Year and Date
  2013-03-29
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] タンパク質中に残基として含まれるD-アミノ酸をコンピュータで取り扱う2013
- Author(s)
  小田彰史
- Organizer
  第9回D-アミノ酸研究会学術講演会
- Place of Presentation
  関西大学(吹田)
- Year and Date
  2013-09-06
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] チオエステル周辺のAMBER力場の開発および評価2013
- Author(s)
  小田彰史,福吉修一,中垣良一,高橋央宜
- Organizer
  第51回日本生物物理学会年会
- Place of Presentation
  京都国際会議場(京都)
- Year and Date
  2013-10-29
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Effects of Initial Settings on Computational Protein-Ligand Docking Accuracies for several Docking Programs2013
- Author(s)
  A. Oda, N. Yamaotsu, S. Hirono, Y. Watanabe, Fukuyoshi, R. Nakagaki, O. Takahashi
- Organizer
  3rd International Conference on Molecular Simulation
- Place of Presentation
  Kobe International Conference Center(Kobe)
- Year and Date
  2013-11-18
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Computational studies on substrate recognition mechanism of protein L-soaspartyl (D-aspartyl) O-methyltransferase2013
- Author(s)
  A. Oda, I. Noji, K. Kobayashi, S. Fukuyoshi, R. Nakagaki, O. Takahashi
- Organizer
  International Conference on Structural Genomics 2013 -Structural Life Science-
- Place of Presentation
  Keio Plaza Hotel Sapporo(Sapporo)
- Year and Date
  2013-07-31
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Novel consensus scoring strategy for evaluations of protein-ligand docking poses using multiobjective optimization2013
- Author(s)
  A. Oda, S. Fukuyoshi, R. Nakagaki, O. Takahashi
- Organizer
  The 12th Asia Pacific Physics Conference
- Place of Presentation
  Makuhari Messe(Chiba)
- Year and Date
  2013-07-16
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Prediction of the complex structure between PI3K and romidepsin (FK-228) for drug design of PI3K/HDAC dual inhibitors2012
- Author(s)
  A. Oda, K. Saijo, C. Ishioka, T. Katoh, S. Fukuyoshi, R. Nakagaki, O. Takahashi
- Organizer
  生命医薬情報学連合大会
- Place of Presentation
  タワーホール船堀(東京)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] 残基としてD-アミノ酸を含む系の分子力学計算のための力場パラメータの評価2012
- Author(s)
  小田彰史,高橋央宜
- Organizer
  第12回日本蛋白質科学会年会
- Place of Presentation
  名古屋国際会議場(名古屋)
- Year and Date
  2012-06-22
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Prediction of the Complex Structure between PI3K and Romidepsin (FK-228) for Drug Design of PI3K/HDAC Dual Inhibitors2012
- Author(s)
  Akifumi Oda, Ken Saijo, Chikashi Ishioka, Tadashi Katoh, Shuichi Fukuyoshi, Ryoichi Nakagaki, Ohgi Takahashi
- Organizer
  生命医薬情報学連合大会
- Place of Presentation
  タワーホール船堀（東京都）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] タンパク質-リガンドドッキングにおける多目的最適化の有用性の評価2012
- Author(s)
  小田彰史,高橋央宜,福吉修一,中垣良一
- Organizer
  日本コンピュータ化学会2012秋季年会
- Place of Presentation
  山形大学(山形)
- Year and Date
  2012-10-14
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] ヒトPIMTがL-β-AspとD-α-Aspの両方を認識する機構についての計算機的研究2012
- Author(s)
  小田彰史,小林佳奈,高橋央宜
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道大学(札幌)
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Evaluations of conformational search accuracy of CAMDAS using experimental three-dimensional structures of protein-ligand complexes2012
- Author(s)
  A. Oda, N. Yamaotsu, S. Hirono, Y. Takano, S. Fukuyoshi, R. Nakagaki, O. Takahashi
- Organizer
  Conference on Computational Physics 2012
- Place of Presentation
  Nichii Gakkan conference center(Kobe)
- Year and Date
  2012-10-17
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Pareto optimal consensus score for evaluations of protein-ligand complex structures2011
- Author(s)
  A. Oda, O. Takahashi
- Organizer
  CBI/JSBi 2011
- Place of Presentation
  Kobe international conference center(Kobe)
- Year and Date
  2011-11-08
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] アミノ酸残基の立体反転についての計算機的研究2011
- Author(s)
  小田彰史
- Organizer
  2011年度CACフォーラム一泊研修会
- Place of Presentation
  リゾーピア熱海(熱海)
- Year and Date
  2011-10-07
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Validation of quantum chemical methods for geometrical optimizations of sulfonamide derivatives2011
- Author(s)
  A. Oda, Y. Takano, O. Takahashi
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics
- Place of Presentation
  Ishikawa Prefecture Museum of Art(Kanazawa)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] 異性化アスパラギン酸を含むペプチドに対する分子力学計算の妥当性の評価2011
- Author(s)
  小田彰史,小林佳奈,高橋央宜
- Organizer
  第39回構造活性相関シンポジウム
- Place of Presentation
  東京理科大学(野田)
- Year and Date
  2011-11-28
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] 非金属元素に対する高次項を含んだ電荷平衡法2011
- Author(s)
  小田彰史,小林佳奈,高橋央宜
- Organizer
  平成23年度化学系学協会東北大会
- Place of Presentation
  東北大学(仙台)
- Year and Date
  2011-09-17
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] NAT2の補酵素およびアミノ酸残基がイソニアジドのドッキングに果たす役割についての計算機的研究2008
- Author(s)
  小田彰史, 高橋央宜
- Organizer
  第36回構造活性相関シンポジウム
- Place of Presentation
  神戸
- Year and Date
  2008-11-02
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] N-アセチルトランスフェラーゼ2の基質認識部位に関する計算化学的検討2008
- Author(s)
  小田彰史, 高橋央宜
- Organizer
  日本分子生物学会第8回春季シンポジウム
- Place of Presentation
  札幌
- Year and Date
  2008-05-26
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] Computational Studies for Ligand Recognition Mechanisms of DrugMetabolizing Enzymes by Using Molecular Simulations2008
- Author(s)
  Akifumi Oda, Kana Kobayashi, Ohgi Takahashi
- Organizer
  Simulations, The 2nd Taiwan-Japan Young Researchers Conference on Computational and Systems Biology
- Place of Presentation
  東京
- Year and Date
  2008-11-05
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] Computational Studies for Ligand Recognition Mechanisms of Drug Metabolizing Enzymes by Using Molecular Simulations2008
- Author(s)
  小田彰史
- Organizer
  The 2nd Taiwan-Japan Young Researchers Conference on Computational and Systems Biology
- Place of Presentation
  東京
- Year and Date
  2008-11-05
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] チオエステル基周辺の構造変化に伴ったエネルギーの変化に関する量子化学的研究2008
- Author(s)
  小田彰史, 高橋央宜, 鷹野優
- Organizer
  第46回日本生物物理学会年会
- Place of Presentation
  福岡
- Year and Date
  2008-12-04
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] Computational studies for the role of the disulfide bond in UGT1A1 by using homology modeling and molecular dynamics simulations2008
- Author(s)
  Akifumi Oda, Kana Kobayashi, Ohgi Takahashi
- Organizer
  CBI Annual Meeting 2008 International Symposium
- Place of Presentation
  東京
- Year and Date
  2008-10-23
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] チオェステル基周辺の構造変化に伴ったエネルギーの変化に関する量子化学的研究2008
- Author(s)
  小田彰史
- Organizer
  第46回日本生物物理学会年会
- Place of Presentation
  福岡
- Year and Date
  2008-12-04
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] Computational studies for the role of the disulfide bond in UGTIAI by using homology modeling and molecular dynamics simulations2008
- Author(s)
  小田彰史
- Organizer
  CBI Annual Meeting 2008 International Symposium
- Place of Presentation
  東京
- Year and Date
  2008-10-23
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] 計算化学手法によるスルホンアミド誘導体の立体構造解析2008
- Author(s)
  小田彰史、高橋央宜、松崎久夫、鷹野優
- Organizer
  日本化学会第88春季年会
- Place of Presentation
  東京
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] N-アセチルトランスフェラーゼ2のリガンド認識機構の計算機的検討2008
- Author(s)
  小田彰史、高橋央宜、松崎久夫
- Organizer
  日本薬学会第128年会
- Place of Presentation
  横浜
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] タンパク質-リガンド複合体予測構造の分子シミュレ-ションによる評価2007
- Author(s)
  小田彰史
- Organizer
  日本生物物理学会第45回年会
- Place of Presentation
  横浜
- Year and Date
  2007-12-21
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] タンパク質-リガンド複合体予測構造の分子シミュレーションによる評価2007
- Author(s)
  小田彰史, 鷹野優, 中村春木, 山乙教之, 広野修一, 高橋央宜, 松崎久夫
- Organizer
  日本生物物理学会第45回年会
- Place of Presentation
  横浜
- Year and Date
  2007-12-21
- Data Source
  KAKENHI-PROJECT-19850019
[Presentation] Novel consensus scoring strategy for evaluations of protein-ligand docking poses using multiobjective optimization
- Author(s)
  A. Oda, S. Fukuyoshi, R. Nakagaki, O. Takahashi
- Organizer
  The 12th Asia Pacific Physics Conference
- Place of Presentation
  Makuhari Messe (Chiba)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Effects of Initial Settings on Computational Protein-Ligand Docking Accuracies for several Docking Programs
- Author(s)
  Akifumi Oda, Noriyuki Yamaotsu, Shuichi Hirono, Yurie Watanabe, Shuichi Fukuyoshi, Ryoichi Nakagaki, Ohgi Takahashi
- Organizer
  3rd International Conference on Molecular Simulation
- Place of Presentation
  Kobe International Conference Center (Kobe)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] チオエステル周辺のAMBER力場の開発および評価
- Author(s)
  小田彰史, 福吉修一, 中垣良一, 高橋央宜
- Organizer
  第51回日本生物物理学会年会
- Place of Presentation
  京都国際会議場（京都）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] PI3KがHDAC阻害剤ロミデプシンを認識する機構についてリガンドベース手法と構造ベース手法を組み合わせて計算機的に解明する
- Author(s)
  小田彰史、西條憲、石岡千加史、加藤正、福吉修一、中垣良一、高橋央宜
- Organizer
  日本薬学会第133年会
- Place of Presentation
  パシフィコ横浜（神奈川県）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Pareto optimal consensus score for evaluations of protein-ligand complex structures
- Author(s)
  Akifumi Oda, Ohgi Takahashi
- Organizer
  CBI/JSBi 2011
- Place of Presentation
  Kobe international conference center (Kobe)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] タンパク質－リガンドドッキングにおける多目的最適化の有用性の評価
- Author(s)
  小田彰史、高橋央宜、福吉修一、中垣良一
- Organizer
  日本コンピュータ化学会2012秋季年会
- Place of Presentation
  山形大学（山形県）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] 残基としてD-アミノ酸を含む系の分子力学計算のための力場パラメータの評価
- Author(s)
  小田彰史、高橋央宜
- Organizer
  第12回日本蛋白質科学会年会
- Place of Presentation
  名古屋国際会議場（愛知県）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] 異性化アスパラギン酸を含むペプチドに対する分子力学計算の妥当性の評価
- Author(s)
  小田彰史, 小林佳奈, 高橋央宜
- Organizer
  第39回構造活性相関シンポジウム
- Place of Presentation
  東京理科大学（野田）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Computational studies on substrate recognition mechanism of protein L-isoaspartyl (D-aspartyl) O-methyltransferase
- Author(s)
  Akifumi Oda, Ikuhiko Noji, Kana Kobayashi, Shuichi Fukuyoshi, Ryoichi Nakagaki, Ohgi Takahashi
- Organizer
  International Conference on Structural Genomics 2013 -Structural Life Science-
- Place of Presentation
  Keio Plaza Hotel Sapporo (Sapporo)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] 非金属元素に対する高次項を含んだ電荷平衡法
- Author(s)
  小田彰史, 小林佳奈, 高橋央宜
- Organizer
  平成23年度化学系学協会東北大会
- Place of Presentation
  東北大学（仙台）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] TEDB-TB analogs as new classes of tubulin inhibitors
- Author(s)
  Kyoko Nakagawa-Goto, Akifumi Oda, Ernest Hamel, Emika Ohkoshi, Bastow F Kenneth, Kuo-Hsiung Lee, Masuo Goto
- Organizer
  246th ACS National Meeting
- Place of Presentation
  Indiana Convention Center (Indianapolis)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] アミノ酸残基の立体反転についての計算機的研究
- Author(s)
  小田彰史
- Organizer
  2011年度ＣＡＣフォーラム一泊研修会(招待講演)
- Place of Presentation
  リゾーピア熱海（熱海）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] Validation of quantum chemical methods for geometrical optimizations of sulfonamide derivatives
- Author(s)
  Akifumi Oda, Yu Takano and Ohgi Takahashi
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics
- Place of Presentation
  Ishikawa Prefecture Museum of Art (Kanazawa)
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] タンパク質中D-アミノ酸残基のin silico解析
- Author(s)
  小田彰史
- Organizer
  ERATO浅野プロジェクト講演会・酵素化学工学セミナー
- Place of Presentation
  富山県立大学（射水）
- Invited
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] ヒトPIMTがL-β-AspとD-α-Aspの両方を認識する機構についての計算機的研究
- Author(s)
  小田彰史, 小林佳奈, 高橋央宜
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道大学（札幌）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] タンパク質中に残基として含まれるD-アミノ酸をコンピュータで取り扱う
- Author(s)
  小田彰史
- Organizer
  第9回D-アミノ酸研究会学術講演会
- Place of Presentation
  関西大学（吹田）
- Invited
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] PI3KがHDAC阻害剤ロミデプシンを認識する機構の分子動力学シミュレーションによる解析
- Author(s)
  小田彰史、西條憲、石岡千加史、加藤正、福吉修一、中垣良一、高橋央宜
- Organizer
  日本薬学会第134年会
- Place of Presentation
  熊本市総合体育館（熊本）
- Data Source
  KAKENHI-PROJECT-23790137
[Presentation] PREDICTION OF THREE-DIMENSIONAL STRUCTURES AND STRUCTURAL FLEXIBILITIES OF WILD-TYPE AND MUTANT CYTOCHROME P450 1A2 BY MOLECULAR DYNAMICS SIMULATIONS
- Author(s)
  Yurie Watanabe, Shuichi Fukuyoshi, Masahiro Hiratsuka, Noriyuki Yamaotsu, Shuichi Hirono, Akifumi Oda
- Organizer
  19th North American ISSX Meeting and 29th JSSX Annual Meeting
- Place of Presentation
  Hilton San Francisco, San Francisco (USA)
- Year and Date
  2014-10-19 – 2014-10-23
- Data Source
  KAKENHI-PROJECT-26460034
[Presentation] Evaluations of conformational search accuracy of CAMDAS using experimental three-dimensional structures of protein-ligand complexes
- Author(s)
  A. Oda, N. Yamaotsu, S. Hirono, Y. Takano, S. Fukuyoshi, R. Nakagaki, O. Takahashi
- Organizer
  Conference on Computational Physics 2012
- Place of Presentation
  Nichii Gakkan conference center（兵庫県）
- Data Source
  KAKENHI-PROJECT-23790137
[]
[]

1. MATSUNAGA Tsukasa (60192340)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
2. INOBE Manabu (10312414)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
3. WAKASUGI Mitsuo (80345595)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
4. KUNISHIMA Munetaka (10214975)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
5. GOTO Kyoko (50180245)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. NISHINAGA Mari (10646681)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. ENDO Yoshio (30211783)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. Konno Tetsuo (50377389)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
9. 林研至 (00422642)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
10. WAKIMOTO Hiroko

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. GOTO Masuo

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
12. TAKAHASHI Hiro

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. OHTA Kiminori

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
14. 町田千代子

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
15. 金政真

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
16. 中川享子

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. 川尻剛照

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
18. 遠藤泰之

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
19. 石岡千加史

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
20. 加藤正

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
21. 西條憲

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
22. 藤野陽

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
23. 寳達明彦

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
24. 藤井晋也

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
25. 影近弘之

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
26. 山本康子

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
27. 藤垣英嗣

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Oda Akifumi 小田 彰史

ODA Akifumi 小田 彰史

Research Projects

Research Products

Co-Researchers

COを反応物・触媒とする化学反応の量子化学計算：非酵素的に生体分子は作れるか？Principal Investigator

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Influence of structural flexibility of drug metabolizing enzyme on ligand recognitionPrincipal Investigator

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Phosphorylase phosphorylation in the heart failure development

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限られたアミノ酸のみから原始タンパク質が構築できるか？Principal Investigator

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Influence of genetic polymorphism on three-dimensional structure and structural flexibility of drug metabolizing enzymePrincipal Investigator

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Application of chemical biology to a mechanistic study of human nucleotide excision repair

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Analysis of a novel small-molecule compound inducing the degradation of a cisplatin resistance-related factor ERCC1

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Development of the protein-ligand docking program using multi-objective optimization and interactive optimizationPrincipal Investigator

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Computational studies for ligand binding mechanisms of drug metabolizing enzymes with genetic polymorphismPrincipal Investigator

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[Book] Theory, Kinetics and Implementation (D. E. Garcia, et al., Eds.), chapter 22012

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[Book] Quantum Systems in Chemistry and Physics: Progress in Methods and Applications2012

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[Book] Quantum Systems in Chemistry and Physics: Progress in Methods and Applications (K. Nishikawa, et al., Eds.), chapter 172012

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[Journal Article] CYP2D6 genotyping analysis and functional characterization of novel allelic variants in a Ni-Vanuatu and Kenyan population by assessing dextromethorphan O-demethylation activity2020

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[Journal Article] Antiproliferative Aspidosperma-Type Monoterpenoid Indole Alkaloids from Bousigonia mekongensis Inhibit Tubulin Polymerization2019

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Oda Akifumi 小田彰史

ODA Akifumi 小田彰史