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Development of a new De Novo protein structure prediction method based on a different approach of the fragment assembly method

Research Project

Project/Area Number 23770174
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Biophysics
Research InstitutionNagoya University

Principal Investigator

GEORGE Chikenji  名古屋大学, 工学(系)研究科(研究院), 助教 (10420366)

Project Period (FY) 2011-04-28 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2013: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2011: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Keywordsタンパク質 / 立体構造予測 / フラグメントアセンブリ法 / 構造アラインメント / non-sequential / 立体構造 / 構造比較 / 二次構造パッキング / ループクロス / 新規フォールド構造 / 非局所的相互作用
Outline of Final Research Achievements

Protein structure prediction is one of the most important problems in biophysics. Although the fragment assembly method has been known as the most successful method, it has clear limitation. In this research project, we developed a new De Novo protein structure prediction method based on a different approach of the fragment assembly method. In this method, new fold structures are generated by permutation of secondary structures, and model qualities are assessed by physic-chemical energy function. We also developed several algorithms of structural bioinformatics, such as a non-sequential structure alignment algorithm and a program for detecting loop crossing. We performed protein structure prediction benchmark tests using the new method and found that our method outperformed the fragment assembly method for some targets.

Report

(5 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • 2012 Research-status Report
  • 2011 Research-status Report
  • Research Products

    (38 results)

All 2014 2013 2011 Other

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Open Access: 1 results,  Acknowledgement Compliant: 1 results) Presentation (34 results) (of which Invited: 1 results) Book (1 results) Remarks (1 results)

  • [Journal Article] How a Spatial Arrangement of Secondary Structure Elements Is Dispersed in the Universe of Protein Folds2014

    • Author(s)
      Shintaro Minami, Kengo Sawada, George Chikenji
    • Journal Title

      PLoS One

      Volume: 9 Issue: 9 Pages: e107959-e107959

    • DOI

      10.1371/journal.pone.0107959

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] MICAN : a protein structure alignment algorithm that can handle Multiple-chains, Inverse alignments, Ca only models, Alternative alignments, and Non-sequential alignments2013

    • Author(s)
      Shintaro Minami, Kengo Sawada and George Chikenji
    • Journal Title

      BMC Bioinformatics

      Volume: 14 Issue: 1 Pages: 1-22

    • DOI

      10.1186/1471-2105-14-24

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Presentation] A New Virtual Screening Method for Identifying Novel Active Compounds Based on Protein Promiscuity2014

    • Author(s)
      Koya Kato, Okuno Tatsuya, George Chikenji
    • Organizer
      CBI学会2014年大会
    • Place of Presentation
      タワーホール船堀
    • Year and Date
      2014-10-28 – 2014-10-30
    • Related Report
      2014 Annual Research Report
  • [Presentation] A Ligand Based Virtual Screening method that takes into account of protein-ligand interactions2014

    • Author(s)
      Koya Kato, George Chikenji
    • 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
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] De Novo protein structure modeling by rewiring old folds2014

    • Author(s)
      Shunsuke Nishiyama, Tatsuo Mukai, George Chikenji
    • 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
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] Template based modeling utilizing an order-made template library2014

    • Author(s)
      Kodai Takagi, Tatsuro Mukai, George Chikenji
    • 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
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] Homologous protein pairs that share the same core packing but have different topology2014

    • Author(s)
      Takahiro Kanemitsu, Shintaro Minami, George Chikenji
    • 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
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] An algorithm for identifying loop crossing in protein structures2014

    • Author(s)
      Tatsuo Mukai, George Chikenji
    • 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
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] Non-sequential structural similarity in the protein world2014

    • Author(s)
      Shintaro Minami, Motonori Ota, George Chikenji
    • 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
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] タンパク質のフォールドは他のフォールドとどのように二次構造の空間配置を共有しているのだろうか?2014

    • Author(s)
      南慎太朗、千見寺浄慈
    • Organizer
      第14回日本蛋白質科学会年会
    • Place of Presentation
      ワークピア横浜/横浜産貿ホール マリネリア
    • Year and Date
      2014-06-25 – 2014-06-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] Go モデルに最適化された Multicanonical 分子動力学法による protein folding の自由エネルギー曲面の決定2014

    • Author(s)
      伊藤真志保、千見寺浄慈、高田彰二
    • Organizer
      第14回日本蛋白質科学会年会
    • Place of Presentation
      ワークピア横浜/横浜産貿ホール マリネリア
    • Year and Date
      2014-06-25 – 2014-06-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] 新規骨格を有する薬物候補化合物の発見に向けたリガンド情報に基づく新たなヴァーチャルスクリーニング手法の開発2014

    • Author(s)
      加藤鉱也、千見寺浄慈
    • Organizer
      第14回日本蛋白質科学会年会
    • Place of Presentation
      ワークピア横浜/横浜産貿ホール マリネリア
    • Year and Date
      2014-06-25 – 2014-06-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] 三角ポリゴンの衝突判定を用いたタンパク質のループ交差を検知するアルゴリズムの開発2014

    • Author(s)
      向辰朗、千見寺浄慈
    • Organizer
      第14回日本蛋白質科学会年会
    • Place of Presentation
      ワークピア横浜/横浜産貿ホール マリネリア
    • Year and Date
      2014-06-25 – 2014-06-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] 配列情報と構造情報を同時に用いた超遠縁の蛋白質相同性検出法2013

    • Author(s)
      南 慎太朗、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      とりぎん文化会館(鳥取県鳥取市)
    • Related Report
      2013 Research-status Report
  • [Presentation] 配列順序を無視したタンパク質の立体構造比較によって見えてきたこと2013

    • Author(s)
      南 慎太朗、澤田 賢吾、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      とりぎん文化会館(鳥取県鳥取市)
    • Related Report
      2013 Research-status Report
  • [Presentation] Generating novel protein folds from existing folds for de novo protein structure prediction2013

    • Author(s)
      中川 裕規, 千見寺 浄慈, 南 慎太朗
    • Organizer
      日本生物物理学会
    • Place of Presentation
      国立京都国際会館(京都府京都市)
    • Related Report
      2013 Research-status Report
  • [Presentation] Non-sequential structural alignment reveals fold change by segment shuffling during evolution2013

    • Author(s)
      南 慎太朗, 千見寺 浄慈, 太田 元規
    • Organizer
      日本生物物理学会
    • Place of Presentation
      国立京都国際会館(京都府京都市)
    • Related Report
      2013 Research-status Report
  • [Presentation] Development of Ligand Based Virtual Screening considering protein-ligand interaction2013

    • Author(s)
      加藤 鉱也, 千見寺 浄慈
    • Organizer
      日本生物物理学会
    • Place of Presentation
      国立京都国際会館(京都府京都市)
    • Related Report
      2013 Research-status Report
  • [Presentation] A new homology modeling technique that utilizes the knowledge of completeness of the PDB2013

    • Author(s)
      金光 高宏, 南 慎太郎, 千見寺 浄慈
    • Organizer
      日本生物物理学会
    • Place of Presentation
      国立京都国際会館(京都府京都市)
    • Related Report
      2013 Research-status Report
  • [Presentation] Some features of protein pairs which have same SSEs packing arrangement but have different topology2013

    • Author(s)
      向 辰朗, 南 慎太朗, 千見寺 浄慈
    • Organizer
      日本生物物理学会
    • Place of Presentation
      国立京都国際会館(京都府京都市)
    • Related Report
      2013 Research-status Report
  • [Presentation] The evolution of protein folds and De Novo protein structure prediction2011

    • Author(s)
      南 慎太朗、中森 弘太、澤田 賢吾、千見寺 浄慈
    • Organizer
      日本蛋白質科学会(招待講演)
    • Place of Presentation
      ホテル阪急エキスポパーク(大阪府)
    • Related Report
      2011 Research-status Report
  • [Presentation] 新規GAP ペナルティーを用いた超遠縁蛋白質間の構造-配列アラインメント2011

    • Author(s)
      澤田 賢吾、南 慎太朗、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      ホテル阪急エキスポパーク(大阪府)
    • Related Report
      2011 Research-status Report
  • [Presentation] 配列順序に依存しない相同性から示唆される蛋白質フォールド多様化のメカニズム2011

    • Author(s)
      南 慎太朗、澤田 賢吾、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      ホテル阪急エキスポパーク(大阪府)
    • Related Report
      2011 Research-status Report
  • [Presentation] 分子の構造揺らぎと相互作用パターンを考慮したLigand-based Virtual Screening2011

    • Author(s)
      奥野 達矢、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      ホテル阪急エキスポパーク(大阪府)
    • Related Report
      2011 Research-status Report
  • [Presentation] Pharmacophore を考慮したLigand-Based Virtual Screening2011

    • Author(s)
      奥野 達矢、千見寺 浄慈
    • Organizer
      日本コンピュータ化学会
    • Place of Presentation
      東京工業大学(東京都)
    • Related Report
      2011 Research-status Report
  • [Presentation] Simulated evolution of protein by a selective pressure on function2011

    • Author(s)
      Masahiro Yamamoto, Takeshi N. Sasaki, Kengo Sawada, Shintaro Minami, George Chikenji, Tomoki P. Terada, Masaki Sasai
    • Organizer
      日本生物物理学会
    • Place of Presentation
      兵庫県立大学(兵庫県)
    • Related Report
      2011 Research-status Report
  • [Presentation] A related location of exon boundary and structural alignment boundary reveals a mechanism of protein fold diversity2011

    • Author(s)
      Shintaro Minami, Kengo Sawada, George Chikenji
    • Organizer
      日本生物物理学会
    • Place of Presentation
      兵庫県立大学(兵庫県)
    • Related Report
      2011 Research-status Report
  • [Presentation] Development of a novel protein structure predicion method emphasizing non-local interaction2011

    • Author(s)
      Kota Nakamori, Shintaro Minami, Kengo Sawada, George Chikenji
    • Organizer
      日本生物物理学会
    • Place of Presentation
      兵庫県立大学(兵庫県)
    • Related Report
      2011 Research-status Report
  • [Presentation] 配列順序に依存しない配列ー構造アラインメントに向けて

    • Author(s)
      澤田 賢吾、南 慎太朗、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      名古屋国際会議場
    • Related Report
      2012 Research-status Report
  • [Presentation] 蛋白質構造空間を二次構造要素の空間配置パターンによって眺める

    • Author(s)
      南 慎太朗、澤田 賢吾、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      名古屋国際会議場
    • Related Report
      2012 Research-status Report
  • [Presentation] タンパク質構造比較の専門家によるアラインメントを再現する、配列順序に依存しない 構造アラインメント法の開発

    • Author(s)
      南 慎太朗、澤田 賢吾、千見寺 浄慈
    • Organizer
      日本蛋白質科学会
    • Place of Presentation
      名古屋国際会議場
    • Related Report
      2012 Research-status Report
  • [Presentation] Kota Nakamori, Shintaro Minami, Kengo Sawada, George Chikenji

    • Author(s)
      Development of a de novo protein structure prediction method based on the antecedent domain segment(ADS) hyphothesis
    • Organizer
      日本生物物理学会
    • Place of Presentation
      名古屋大学
    • Related Report
      2012 Research-status Report
  • [Presentation] Yuki Nakagawa, Shintaro Minami, Kengo Sawada, George Chikenji

    • Author(s)
      Modeling structure of large insersion regions in homology modeling bu utilizing non-sequential structure relationship
    • Organizer
      日本生物物理学会
    • Place of Presentation
      名古屋大学
    • Related Report
      2012 Research-status Report
  • [Presentation] Kengo Sawada, Shintaro Minami, Geroge Chijenji

    • Author(s)
      Common structural / sequence features of proteins that share non-sequential structural similarity
    • Organizer
      日本生物物理学会
    • Place of Presentation
      名古屋大学
    • Related Report
      2012 Research-status Report
  • [Presentation] Tatsuo Mukai, Kengo Sawada, Shintaro Minami, George Chikenji

    • Author(s)
      Some characteristic features of non-sequential structural alignment: difference between sequential and non-sequental alignments
    • Organizer
      日本生物物理学会
    • Place of Presentation
      名古屋大学
    • Related Report
      2012 Research-status Report
  • [Presentation] Shintaro Minami, Kengo Sawada, George Chikenji

    • Author(s)
      Homologous proteins with different fold: how were they raised ?
    • Organizer
      日本生物物理学会
    • Place of Presentation
      名古屋大学
    • Related Report
      2012 Research-status Report
  • [Book] 細胞の物理生物学(Physical Biology of the Cellの邦訳)2011

    • Author(s)
      笹井理生、伊藤一仁、千見寺浄慈、寺田智樹
    • Total Pages
      957
    • Publisher
      共立出版
    • Related Report
      2011 Research-status Report
  • [Remarks] 開発した構造アラインメント手法(MICAN)のページ

    • URL

      http://www.tbp.cse.nagoya-u.ac.jp/MICAN/

    • Related Report
      2012 Research-status Report

URL: 

Published: 2011-08-05   Modified: 2019-07-29  

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