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

Research Project

Project/Area Number 26460034
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical pharmacy
Research InstitutionMeijo University (2016)
Kanazawa University (2014-2015)

Principal Investigator

Oda Akifumi  名城大学, 薬学部, 教授 (50433511)

Project Period (FY) 2014-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2015: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2014: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords薬物代謝酵素 / 遺伝多型 / 構造揺らぎ / 基質認識 / 分子動力学シミュレーション / 分子シミュレーション / 計算化学
Outline of Final Research Achievements

In this study, the influence of the genetic polymorphisms on the static three-dimensional structures and the structural flexibilities of the drug metabolizing enzymes were evaluated by using molecular simulations. The genetic polymorphisms cause the amino acid mutations in the gene product proteins, and the mutated residues cause the changes of the static and dynamic structural properties of the proteins. In the drug metabolizing enzymes, such as cytochrome P450s, the static structures of proteins changed not only around the mutated residues, but also in the distant portion of proteins because of the transformation of the hydrogen network. In addition, because the structural flexibility of proteins were changed by the mutation, the interaction between drug metabolizing enzymes and the other molecules such as water were reduced.

Report

(4 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • 2014 Research-status Report
  • Research Products

    (53 results)

All 2017 2016 2015 2014 Other

All Journal Article (20 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 20 results,  Open Access: 2 results,  Acknowledgement Compliant: 9 results) Presentation (31 results) (of which Int'l Joint Research: 11 results,  Invited: 1 results) Remarks (2 results)

  • [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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [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

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [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

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [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

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [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

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [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

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [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

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [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
    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [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)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [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)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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
    • Related Report
      2015 Research-status Report
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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)
    • Related Report
      2016 Annual Research Report
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [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
    • Related Report
      2015 Research-status Report
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [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
    • Related Report
      2015 Research-status Report
  • [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
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [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
    • Related Report
      2014 Research-status Report
  • [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
    • Related Report
      2014 Research-status Report
  • [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
    • Related Report
      2014 Research-status Report
  • [Presentation] PREDICTION OF THREE-DIMENSIONAL STRUCTURES AND STRUCTURAL FLEXIBILITIES OF WILD-TYPE AND MUTANT CYTOCHROME P450 1A2 BY MOLECULAR DYNAMICS SIMULATIONS2014

    • 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
    • Related Report
      2014 Research-status Report
  • [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
    • Related Report
      2014 Research-status Report
  • [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
    • Related Report
      2014 Research-status Report
  • [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
    • Related Report
      2014 Research-status Report
  • [Remarks] 生物物理化学研究室|名城大学 薬学部

    • URL

      http://www-yaku.meijo-u.ac.jp/kenkyu/biophysical/

    • Related Report
      2016 Annual Research Report
  • [Remarks] 金沢大学 活性相関物理化学研究室

    • URL

      http://www.p.kanazawa-u.ac.jp/~bukka/

    • Related Report
      2015 Research-status Report 2014 Research-status Report

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Published: 2014-04-04   Modified: 2018-03-22  

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