Protein structural data mining based on the Neighborhood Fragment Spectra representation

• Project/Area Number: 22500130
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Intelligent informatics
• Research Institution: Toyohashi University of Technology
• Principal Investigator: KATO Hiroaki 豊橋技術科学大学, 大学院・工学研究科, 講師 (30303704)
• Project Period (FY): 2010 – 2012
• Project Status: Completed (Fiscal Year 2012)
• Budget Amount: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000); Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2011: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2010: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
• Keywords: 分子構造情報処理 / 三次元構造類似性 / タンパク質構造分類 / データマイニング / 分子生命情報学 / 分子構造データベース / タンパク質モチーフ / 近傍フラグメント / タンパク質立体構造 / 分子グラフ / 構造活性相関 / 近傍フラグメントスペクトル

Research Abstract

In the present work, the author has proposed the Neighborhood Fragment Spectra (NFS) method to describe structural feature of a given molecule. It has applied for sequenceand structural similarity analysis of proteins using the reduced represe ntation of complex and large protein structures. The developed method including an automated classification of quaternary structures is one of the key technologies for protein structural data mining.

Research Products

• [Presentation] 近傍フラグメント表現に基づくタンパク質配列特徴解析システムの開発 (2013)
  • Author(s): 永松晃一, 加藤博明
  • Organizer: 第40回構造活性相関シンポジウム
  • Place of Presentation: 岡崎市図書館交流プラザ(愛知県岡崎市)
  • Year and Date: 2013-11-29
• [Presentation] 遺伝的アルゴリズムを用いた分子ライブラリデザインシステムの開発 (2013)
  • Author(s): 森本孝朗, 加藤博明
  • Organizer: 第40回構造活性相関シンポジウム
  • Place of Presentation: 岡崎市図書館交流プラザ(愛知県岡崎市)
  • Year and Date: 2013-11-29
• [Presentation] Structural similarity search of molecules using the Neighborhood Fragment Spectra (2013)
  • Author(s): Hiroaki Kato, Koichi Nagamatsu and Masaaki Iitsuka
  • Organizer: Joint Conference on Informatics in Biology, Medicine and Pharmacology 2012
  • Place of Presentation: タワーホール船堀(東京都江戸川区)
  • Year and Date: 2013-10-15
• [Presentation] Three-dimensional protein structural data mining based on the NFS representation (2013)
  • Author(s): Hiroaki Kato, and Masaaki Iitsuka
  • Organizer: The 9th China-Japan Joint Symposium on Drug Design and Development
  • Place of Presentation: Guilin Bravo Hotel(中国・桂林市)
  • Year and Date: 2013-09-22
• [Presentation] 系統樹表現に基づく分子の関係ネットワークの可視化システムの開発 (2012)
  • Author(s): 檜山綾乃, 加藤博明
  • Organizer: 第39回構造活性相関シンポジウム
  • Place of Presentation: 東京理科大学薬学部(千葉県野田市)
  • Year and Date: 2012-11-28
• [Presentation] Development of structural feature analysis program for proteins based on the triplet pattern (2011)
  • Author(s): Hiroaki Kato, Chisato Morishita, and Sachie Hakamata
  • Organizer: The 2010 Annual Conference of the Japanese Society for Bioinformatics
  • Place of Presentation: 九州大学医学部(福岡市)
  • Year and Date: 2011-12-13
• [Presentation] 構造活性相関研究のための分子の三次元特徴フラグメント辞書の作成 (2011)
  • Author(s): 松田貴人, 加藤博明
  • Organizer: 第33回情報化学討論会
  • Place of Presentation: 徳島大学工学部(徳島市)
  • Year and Date: 2011-10-30
• [Presentation] アミノ酸残基の周辺環境に注目した GPCR の配列特徴解析システムの開発 (2011)
  • Author(s): 家村享明, 檜山綾乃, 加藤博明
  • Organizer: 第38回構造活性相関シンポジウム
  • Place of Presentation: 徳島大学工学部(徳島市)
  • Year and Date: 2011-10-30
• [Presentation] Three-dimensional structural data mining of proteins based on Geometrical Fragment Spectra representation (2011)
  • Author(s): Hiroaki Kato
  • Organizer: 18th European Symposium on Quantitative Structure-Activity Relationships
  • Place of Presentation: Rodos Palace(ギリシア)
  • Year and Date: 2011-09-20
• [Presentation] Development of structural feature analysis program for proteins based on the triplet pattern (2010)
  • Author(s): Hiroaki Kato, Chisato Morishita, Sachie Hakamata
  • Organizer: The 2010 Annual Conference of the Japanese Society for Bioinformatics
  • Place of Presentation: 九州大学医学部(福岡市)
  • Year and Date: 2010-12-13
• [Presentation] アミノ酸残基の周辺環境に注目したGPCRの配列特徴解析システムの開発 (2010)
  • Author(s): 家村享明, 檜山綾乃, 加藤博明
  • Organizer: 第38回構造活性相関シンポジウム
  • Place of Presentation: 徳島大学工学部(徳島市)
  • Year and Date: 2010-10-30
• [Presentation] Three-dimensional protein structural data mining based on the NFS representation
  • Author(s): Hiroaki Kato, Masaaki Iitsuka
  • Organizer: The 9th China-Japan Joint Symposium on Drug Design and Development
  • Place of Presentation: Guilin Bravo Hotel （中国・桂林市）
• [Presentation] 近傍フラグメント表現に基づくタンパク質配列特徴解析システムの開発
  • Author(s): 永松晃一, 加藤博明
  • Organizer: 第40回構造活性相関シンポジウム
  • Place of Presentation: 岡崎市図書館交流プラザ（愛知県岡崎市）
• [Presentation] 遺伝的アルゴリズムを用いた分子ライブラリデザインシステムの開発
  • Author(s): 森本孝朗, 加藤博明
  • Organizer: 第40回構造活性相関シンポジウム
  • Place of Presentation: 岡崎市図書館交流プラザ（愛知県岡崎市）
• [Presentation] Structural similarity search of molecules using the Neighborhood Fragment Spectra
  • Author(s): Hiroaki Kato, Koichi Nagamatsuand Masaaki Iitsuka
  • Organizer: Joint Conference on Informatics in Biology, Medicine and Pharmacology 2012
  • Place of Presentation: タワーホール船堀（東京都江戸川区）