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Development of a computational peptide-protein interaction prediction method based on their tertiary structures

Research Project

Project/Area Number 15K16081
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Life / Health / Medical informatics
Research InstitutionTokyo Institute of Technology

Principal Investigator

Ohue Masahito  東京工業大学, 情報理工学院, 助教 (50743209)

Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2016: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywordsペプチド創薬 / タンパク質間相互作用 / バイオインフォマティクス / 分子ドッキング / 標的予測 / カーネル法 / ランク学習 / 中分子 / アミノ酸配列 / 構造インフォマティクス / MEGADOCK-Web / ペプチド分子 / MEGADOCK / プロファイル / 中規模ペプチド / アミノ酸相互作用プロファイル
Outline of Final Research Achievements

The purpose of this study is to efficiently search for peptide targets, which is considered important in middle molecule drug discovery, and to develop a prediction method reveals binding target.
I have performed large-scale parallelization to predict protein-protein interactions based on three-dimensional structure information. In addition, an all-to-all prediction was performed on representative human protein structures, and an web-interface was constructed to find the prediction results via a web browser. In addition, I have developed computational methods that conducting binding analysis of peptide molecules and proteins, LIK method which is a molecular target prediction method based on bipartite graph prediction by machine learning, and another molecular target prediction method named PKRank based on learning-to-rank.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (61 results)

All 2018 2017 2016 2015 Other

All Int'l Joint Research (2 results) Journal Article (11 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 11 results,  Open Access: 8 results,  Acknowledgement Compliant: 2 results) Presentation (45 results) (of which Int'l Joint Research: 16 results,  Invited: 3 results) Remarks (3 results)

  • [Int'l Joint Research] CNRS/リヨン大学(フランス)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] CNRS/Universite de Lyon(フランス)

    • Related Report
      2016 Research-status Report
  • [Journal Article] MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions2018

    • Author(s)
      akanori Hayashi、Yuri Matsuzaki、Keisuke Yanagisawa、Masahito Ohue、Yutaka Akiyama
    • Journal Title

      BMC Bioinformatics

      Volume: 印刷中

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm2018

    • Author(s)
      Yanagisawa Keisuke、Komine Shunta、Kubota Rikuto、Ohue Masahito、Akiyama Yutaka
    • Journal Title

      Computational Biology and Chemistry

      Volume: 印刷中 Pages: 399-406

    • DOI

      10.1016/j.compbiolchem.2018.03.013

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem2018

    • Author(s)
      Tomohiro Ban, Masahito Ohue, and Yutaka Akiyama
    • Journal Title

      Computational Biology and Chemistry

      Volume: 73 Pages: 139-146

    • DOI

      10.1016/j.compbiolchem.2018.02.008

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach2018

    • Author(s)
      Wakui Naoki、Yoshino Ryunosuke、Yasuo Nobuaki、Ohue Masahito、Sekijima Masakazu
    • Journal Title

      Journal of Molecular Graphics and Modelling

      Volume: 79 Pages: 166-174

    • DOI

      10.1016/j.jmgm.2017.11.011

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] PKRank: a novel learning-to-rank method for ligand-based virtual screening using pairwise kernel and RankSVM2017

    • Author(s)
      Suzuki Shogo D.、Ohue Masahito、Akiyama Yutaka
    • Journal Title

      Artificial Life and Robotics

      Volume: - Issue: 2 Pages: 205-212

    • DOI

      10.1007/s10015-017-0416-8

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Efficient hyperparameter optimization by using Bayesian optimization for drug-target interaction prediction2017

    • Author(s)
      Ban Tomohiro、Ohue Masahito、Akiyama Yutaka
    • Journal Title

      In Proceedings of the 7th IEEE International Conference on Computational Advances in Bio and Medical Sciences (ICCABS 2017)

      Volume: - Pages: 1-8

    • DOI

      10.1109/iccabs.2017.8114299

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Link Mining for Kernel-Based Compound-Protein Interaction Predictions Using a Chemogenomics Approach2017

    • Author(s)
      Ohue Masahito、Yamazaki Takuro、Ban Tomohiro、Akiyama Yutaka
    • Journal Title

      In Proceedings of the Thirteenth International Conference On Intelligent Computing (ICIC2017) (Lecture Notes in Computer Science)

      Volume: - Pages: 549-558

    • DOI

      10.1007/978-3-319-63312-1_48

    • ISBN
      9783319633114, 9783319633121
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Link Mining for Kernel-based Compound-Protein Interaction Predictions Using a Chemogenomics Approach2017

    • Author(s)
      Masahito Ohue, Takuro Yamazaki, Tomohiro Ban, Yutaka Akiyama
    • Journal Title

      Lecture Note of Computer Science (In Proceedings of ICIC2017)

      Volume: in press

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Spresso: An ultrafast compound pre-screening method based on compound decomposition2017

    • Author(s)
      Keisuke Yanagisawa, Shunta Komine, Shogo D. Suzuki, Masahito Ohue, Takashi Ishida, Yutaka Akiyama
    • Journal Title

      Bioinformatics

      Volume: 印刷中 Issue: 23 Pages: 3836-3843

    • DOI

      10.1093/bioinformatics/btx178

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Rigid-Docking Approaches to Explore Protein-Protein Interaction Space2016

    • Author(s)
      Yuri Matsuzaki, Nobuyuki Uchikoga Masahito Ohue, Yutaka Akiyama
    • Journal Title

      Advances in Biochemical Engineering/Biotechnology

      Volume: ー Pages: 1-23

    • DOI

      10.1007/10_2016_41

    • ISBN
      9783319564593, 9783319564609
    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Journal Article] Specificity of broad protein interaction surfaces for proteins with multiple binding partners2016

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Journal Title

      Biophysics and Physicobiology

      Volume: 13 Issue: 0 Pages: 105-115

    • DOI

      10.2142/biophysico.13.0_105

    • NAID

      130005165366

    • ISSN
      2189-4779
    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] タンパク質分子の柔軟性を考慮した新規ドッキングゲーム2018

    • Author(s)
      飯野翼, 大上雅史, 秋山泰, 清水佳奈
    • Organizer
      情報処理学会第80回全国大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 出会い系タンパク質を探す旅2018

    • Author(s)
      大上雅史
    • Organizer
      情報処理学会第80回全国大会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Feature extraction by enumerating lasso solutions for predicting plasma protein binding of peptide2018

    • Author(s)
      Takashi Tajimi, Naoki Wakui, Masahito Ohue Yutaka Akiyama
    • Organizer
      The Sixteenth Asia Pacific Bioinformatics Conference (APBC2018)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Toward efficient protein-ligand docking for virtual screening by reuse of fragments2018

    • Author(s)
      Rikuto Kubota, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama
    • Organizer
      The Sixteenth Asia Pacific Bioinformatics Conference (APBC2018)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] クラウド上の分散GPU環境におけるタンパク質間相互作用予測計算フレームワークの開発2018

    • Author(s)
      山本 悠生, 大上 雅史, 秋山 泰
    • Organizer
      情報処理学会第53回バイオ情報学研究会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 目バーチャルスクリーニング2017

    • Author(s)
      大上雅史
    • Organizer
      第21回オープンバイオ研究会
    • Place of Presentation
      北陸先端科学技術大学院大学
    • Year and Date
      2017-03-25
    • Related Report
      2016 Research-status Report
  • [Presentation] Microsoft Azure上でのタンパク質間相互作用予測システムの並列計算と性能評価2017

    • Author(s)
      大上雅史,山本悠生,秋山泰
    • Organizer
      情報処理学会第49回バイオ情報学研究会
    • Place of Presentation
      北陸先端科学技術大学院大学、能美市、石川県
    • Year and Date
      2017-03-23
    • Related Report
      2016 Research-status Report
  • [Presentation] 標的タンパク質の立体構造を用いたリガンド候補化合物の上限サイズの推定による化合物フィルタリング2017

    • Author(s)
      柳澤渓甫,大上雅史,石田貴士, 秋山泰
    • Organizer
      情報処理学会第49回バイオ情報学研究会
    • Place of Presentation
      北陸先端科学技術大学院大学、能美市、石川県
    • Year and Date
      2017-03-23
    • Related Report
      2016 Research-status Report
  • [Presentation] コンテナ型仮想化による分散計算環境におけるタンパク質間相互作用予測システムの性能評価2017

    • Author(s)
      青山建人, 山本悠生,大上雅史,秋山泰
    • Organizer
      情報処理学会第49回バイオ情報学研究会
    • Place of Presentation
      北陸先端科学技術大学院大学、能美市、石川県
    • Year and Date
      2017-03-23
    • Related Report
      2016 Research-status Report
  • [Presentation] Cloud Computing for All-to-All Protein-Protein Docking on Azure HPC'2017

    • Author(s)
      Masahito Ohue, Yuki Yamamoto, Takanori Hayashi, Yuri Matsuzaki, Yutaka Akiyam
    • Organizer
      Biophysical Society 61st Annual Meeting
    • Place of Presentation
      Ernest N. Morial Convention Center, New Orleans, LA, USA
    • Year and Date
      2017-02-14
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Interaction Surfaces of Proteins Involved in Bacterial-Chemotaxis with Rigid-Body Docking Decoys2017

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      Biophysical Society 61st Annual Meeting
    • Place of Presentation
      Ernest N. Morial Convention Center, New Orleans, LA, USA
    • Year and Date
      2017-02-13
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Learning-to-rank based compound virtual screening by using pairwise kernel with multiple heterogeneous experimental data2017

    • Author(s)
      Shogo D. Suzuki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      22nd International Symposium on Artificial Life and Robotics (AROB 22nd 2017)
    • Place of Presentation
      B-con Plaza, Beppu, Oita, Japan
    • Year and Date
      2017-01-19
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Prediction of Protein-Protein Interactions with MEGADOCK: Parallelization, Application, and Open Database2017

    • Author(s)
      Masahito Ohue
    • Organizer
      4th IIT Madras-Tokyo Tech Joint Symposium on Frontiers in Bioinformatics: Large Scale Data Analysis, Resources and Drug Design
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: a molecular dynamics simiulation approach2017

    • Author(s)
      Naoki Wakui, Ryunosuke Yoshino, Nobuaki Yasuo, Masahito Ohue, Masakazu Sekijima
    • Organizer
      4th IIT Madras-Tokyo Tech Joint Symposium on Frontiers in Bioinformatics: Large Scale Data Analysis, Resources and Drug Design
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] MEGADOCK-Azure: high-performance protein-protein docking on Microsoft Azure HPC2017

    • Author(s)
      Masahito Ohue, Yuki Yamamoto, Kento Aoyama, Yutaka Akiyama
    • Organizer
      4th IIT Madras-Tokyo Tech Joint Symposium on Frontiers in Bioinformatics: Large Scale Data Analysis, Resources and Drug Design
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] フラグメント伸長型化合物ドッキング計算のための重み付きオフラインキャッシュ問題の厳密解アルゴリズム2017

    • Author(s)
      柳澤渓甫, 小峰駿汰, 久保田陸人, 大上雅史, 秋山泰
    • Organizer
      情報処理学会第50回バイオ情報学研究会
    • Related Report
      2017 Annual Research Report
  • [Presentation] タンパク質間相互作用予測統合データベースMEGADOCK-WEBの改良とクラウド計算環境との連携2017

    • Author(s)
      林孝紀, 山本悠生, 松崎由理, 大上雅史, 秋山泰
    • Organizer
      情報処理学会第50回バイオ情報学研究会
    • Related Report
      2017 Annual Research Report
  • [Presentation] MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions2017

    • Author(s)
      Masahito Ohue, Takanori Hayashi, Keisuke Yanagisawa, Yuri Matsuzaki, Yutaka Akiyama
    • Organizer
      Informatics in Biology, Medicine and Pharmacology 2017 (IIBMP2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 構造情報に基づくタンパク質間相互作用予測システムMEGADOCK2016

    • Author(s)
      大上雅史
    • Organizer
      CBI学会2016年大会, FS-07 バイオインフォマティクスとその医学応用・第4回 オミックス解析における実務者意見交換会
    • Place of Presentation
      タワーホール船堀、江戸川区、東京都
    • Year and Date
      2016-10-27
    • Related Report
      2016 Research-status Report
  • [Presentation] Human insight in drug discovery: docking pose selection in protein-ligand docking and hit-compounds selection in structure-based virtual screening2016

    • Author(s)
      Kazuki Yamamoto, Yoshitaka Moriwaki, Keita Oda, Masahito Ohue, Itsuo Nakane, Ryunosuke Yoshino, Hayase Hakariya, Tadaaki Mashimo, Mitsuhito Wada, Yoshifumi Fukunishi
    • Organizer
      CBI学会2016年大会
    • Place of Presentation
      タワーホール船堀、江戸川区、東京都
    • Year and Date
      2016-10-26
    • Related Report
      2016 Research-status Report
  • [Presentation] ESPRESSO: An ultrafast compound pre-screening method based on compound decomposition2016

    • Author(s)
      Keisuke Yanagisawa, Shunta Komine, Shogo D. Suzuki, Masahito Ohue, Takashi Ishida, Yutaka Akiyama
    • Organizer
      The 27th International Conference on Genome Informatics (GIW2016)
    • Place of Presentation
      Fudan Universitym Shanghai, China
    • Year and Date
      2016-10-04
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 薬のタネ発見のための計算技術と創薬知BoF2016

    • Author(s)
      大上雅史
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] Human insight in drug discovery: docking pose selection in protein-ligand docking and hit-compounds selection in structure-based virtual screening2016

    • Author(s)
      Kazuki Yamamoto, Yoshitaka Moriwaki, Keita Oda, Masahito Ohue, Itsuo Nakane, Ryunosuke Yoshino, Hayase Hakariya, Tadaaki Mashimo, Mitsuhito Wada, Yoshifumi Fukunishi
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] ESPRESSO: An ultrafast compound pre-screening method based on compound segmentation2016

    • Author(s)
      Keisuke Yanagisawa, Shunta Komine, Shogo D. Suzuki, Masahito Ohue, Takashi Ishida, Yutaka Akiyama
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] MEGADOCK-Azure: High-performance protein-protein interaction prediction system on Microsoft Azure HPC2016

    • Author(s)
      Masahito Ohue, Yuki Yamamoto, Hiroyuki Sato, Takashi Matsushita, Yutaka Akiyama
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] Learning to Rank with Ignoring Meaningless Order and Its Application to Virtual Screening for Drug Discovery2016

    • Author(s)
      Shogo D. Suzuki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] MEGADOCK-WEB: a database of predicted protein-protein interactions and its web interface2016

    • Author(s)
      Takanori Hayashi, Kazuki Nagasawa, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] GPU/MPI Parallelization of Metagenomic Sequence Homology Search Tool and Its Application to Oral Metagenomics2016

    • Author(s)
      Marina Yamasawa, Tomoya Fujii, Kota Goto, Masahito Ohue, Takashi Ishida, Kazuyuki Ishihara, Yutaka Akiyama
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] Accelerating SHAKE Calculation of myPresto/omegagene Molecular Dynamics Simulation on CPU/GPU heterogeneous environment2016

    • Author(s)
      Kota Goto, Kota Kasahara, Masahito Ohue, Haruki Nakamura, Yutaka Akiyama
    • Organizer
      第5回生命医薬情報学連合大会(IIBMP2016)
    • Place of Presentation
      プラザ平成、江東区、東京都
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report
  • [Presentation] 計算で明らかにするタンパク質の出会いとネットワーク2016

    • Author(s)
      大上雅史
    • Organizer
      FIT2016 第15回情報科学技術フォーラム
    • Place of Presentation
      富山大学五福キャンパス、富山市、富山県
    • Year and Date
      2016-09-09
    • Related Report
      2016 Research-status Report
    • Invited
  • [Presentation] SHAKE法に着目した分子動力学ソフトウェアmyPresto/OmegageneのCPU・GPU混在環境における高速化2016

    • Author(s)
      後藤公太,笠原浩太,大上雅史,中村春木,秋山泰
    • Organizer
      情報処理学会第46回バイオ情報学研究会
    • Place of Presentation
      沖縄科学技術大学院大学、恩納村、沖縄県
    • Year and Date
      2016-07-05
    • Related Report
      2016 Research-status Report
  • [Presentation] フラグメント分割に基づく超高速化合物プレスクリーニング手法 ESPRESSO2016

    • Author(s)
      柳澤渓甫,小峰駿汰,鈴木翔吾,大上雅史,石田貴士,秋山泰
    • Organizer
      情報処理学会第46回バイオ情報学研究会
    • Place of Presentation
      沖縄科学技術大学院大学、恩納村、沖縄県
    • Year and Date
      2016-07-05
    • Related Report
      2016 Research-status Report
  • [Presentation] 活性値情報のグループ化とランク学習による化合物スクリーニング2016

    • Author(s)
      鈴木翔吾,大上雅史,秋山泰
    • Organizer
      情報処理学会第46回バイオ情報学研究会
    • Place of Presentation
      沖縄科学技術大学院大学、恩納村、沖縄県
    • Year and Date
      2016-07-05
    • Related Report
      2016 Research-status Report
  • [Presentation] 細菌走化性におけるタンパク質間相互作用面の解析2016

    • Author(s)
      内古閑伸之,松崎由理,大上雅史, 秋山泰
    • Organizer
      第16回日本蛋白質科学会年会
    • Place of Presentation
      福岡国際会議場、福岡県
    • Year and Date
      2016-06-08
    • Related Report
      2016 Research-status Report
  • [Presentation] タンパク質間相互作用予測結果データベースと表示系の構築2016

    • Author(s)
      長澤一輝,松崎由理,大上雅史,秋山泰
    • Organizer
      情報処理学会第45回バイオ情報学研究会
    • Place of Presentation
      北陸先端科学技術大学院大学,能美市,石川県
    • Year and Date
      2016-03-18
    • Related Report
      2015 Research-status Report
  • [Presentation] MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers2016

    • Author(s)
      Masahito Ohue, Yuri Matsuzaki, Nobuyuki Uchikoga, Takashi Ishida, Yutaka Akiyama
    • Organizer
      Biophysical Society 60th Annual Meeting
    • Place of Presentation
      ロサンゼルスコンベンションセンター,カリフォルニア州,アメリカ
    • Year and Date
      2016-03-01
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Analysis of Physico-Chemical Properties of Protein Docking Decoys Generated by Rigid-Body Docking2016

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      Biophysical Society 60th Annual Meeting
    • Place of Presentation
      ロサンゼルスコンベンションセンター,カリフォルニア州,アメリカ
    • Year and Date
      2016-03-01
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] A rescoring method of protein-peptide docking prediction with amino acid profiles of rigid-body search results2016

    • Author(s)
      Masahito Ohue, Yutaka Akiyama
    • Organizer
      The Fourteenth Asia Pacific Bioinformatics Conference (APBC2016)
    • Place of Presentation
      South San Francisco Conference Center, Sanfrancisco Bay Area, CA, USA
    • Year and Date
      2016-01-12
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] タンパク質間相互作用予測システムMEGADOCKによるEGFRパスウェイ解析2015

    • Author(s)
      大上雅史,松崎由理,石田貴士,秋山泰
    • Organizer
      第21回創剤フォーラム若手研究会
    • Place of Presentation
      東京大学本郷キャンパス, 文京区,東京都
    • Year and Date
      2015-11-28
    • Related Report
      2015 Research-status Report
  • [Presentation] Analysis of protein docking decoys in terms of physicochemical properties of protein surfaces using rigid-body docking process2015

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      3rd IIT Madras-Tokyo Tech Joint Symposium on Algorithms and Applications of Bioinformatics
    • Place of Presentation
      インド工科大学マドラス校,チェンナイ,インド
    • Year and Date
      2015-11-05
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] MEGADOCK: A high-performance protein-protein interaction prediction software for petascale supercomputing environments2015

    • Author(s)
      Yuri Matsuzaki, Masahito Ohue, Nobuyuki Uchikoga, Takashi Ishida, Yutaka Akiyama
    • Organizer
      3rd IIT Madras-Tokyo Tech Joint Symposium on Algorithms and Applications of Bioinformatics
    • Place of Presentation
      インド工科大学マドラス校,チェンナイ,インド
    • Year and Date
      2015-11-05
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] MEGADOCK: A high-performance protein-protein interaction prediction software for petascale super-computing environments2015

    • Author(s)
      Yuri Matsuzaki, Nobuyuki Uchikoga, Masahito Ohue, Takashi Ishida, Yutaka Akiyama
    • Organizer
      Supercomputational Life Science 2015 (SCLS2015)
    • Place of Presentation
      東京大学,文京区,東京都
    • Year and Date
      2015-10-21
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] アミノ酸プロファイルによるタンパク質ペプチド複合体のポストドッキング解析2015

    • Author(s)
      大上雅史, 内古閑伸之,松崎由理,秋山泰
    • Organizer
      第53回日本生物物理学会年会
    • Place of Presentation
      金沢大学,金沢市,石川県
    • Year and Date
      2015-09-14
    • Related Report
      2015 Research-status Report
  • [Presentation] 剛体アンサンブルドッキングによって得られた候補構造群における相互作用残基ペアの特徴の解析2015

    • Author(s)
      内古閑伸之,松崎由理,大上雅史, 秋山泰
    • Organizer
      第53回日本生物物理学会年会
    • Place of Presentation
      金沢大学,金沢市,石川県
    • Year and Date
      2015-09-14
    • Related Report
      2015 Research-status Report
  • [Presentation] タンパク質間相互作用残基の物理化学的性質による単純化プロファイルを用いたポストドッキング解析2015

    • Author(s)
      大上雅史,内古閑伸之,松崎由理,秋山泰
    • Organizer
      第15回日本蛋白質科学会年会
    • Place of Presentation
      あわぎんホール,徳島市,徳島県
    • Year and Date
      2015-06-24
    • Related Report
      2015 Research-status Report
  • [Remarks]

    • URL

      http://www.bi.cs.titech.ac.jp/~ohue/

    • Related Report
      2017 Annual Research Report
  • [Remarks]

    • URL

      http://www.bi.cs.titech.ac.jp/~ohue/

    • Related Report
      2016 Research-status Report
  • [Remarks]

    • URL

      http://www.bi.cs.titech.ac.jp/~ohue/

    • Related Report
      2015 Research-status Report

URL: 

Published: 2015-04-16   Modified: 2019-03-29  

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