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2018 年度 実施状況報告書

Database of Molecular Shapes and Diffraction Patterns for X-ray Free Electron Laser Data Analysis

研究課題

研究課題/領域番号 17K07305
研究機関名古屋大学

研究代表者

TAMA FLORENCE  名古屋大学, 理学研究科, 教授 (20648191)

研究期間 (年度) 2017-04-01 – 2020-03-31
キーワード2D images / 3D structure / single molecules / XFEL
研究実績の概要

Advancements in biophysical experimental techniques have pushed the limits in terms of the types of phenomena that can be characterized, the amount of data that can be produced and the resolution at which we can visualize them. Single particle techniques such as Electron Microscopy (EM) and X-ray free electron laser (XFEL) scattering require a large number of 2D images collected to resolve three-dimensional (3D) structures. An efficient method is proposed to find 3D biological shapes to serve as a starting point for further analyses. In the proposed strategy, a few input XFEL diffraction images are matched against a library of simulated diffraction patterns from 1628 electron microscopy models, to find potential matching 3D models. Different procedures were tested to identify the best strategy to define matching regions to be considered on the diffraction patterns when comparing images. It was shown that the resulting matches are dependent on the uniqueness or complexity of the shape of interest and its availability in the library but given a small number of XFEL diffraction patterns, our algorithm is able to identify potential 3D biological shapes.

現在までの達成度 (区分)
現在までの達成度 (区分)

2: おおむね順調に進展している

理由

We have established a protocol for finding 3D shapes from a few 2D images from EM and XFEL experiments and we have been building up the database with 3D shapes, 2D EM images and 2D XFEL images. Finally we have published several papers, one specific to the EM database and others related to EM and XFEL data.

今後の研究の推進方策

The procedure to find a match given a few 2D EM images or XFEL diffraction patterns is now established. A manuscript with the description of the XFEL protocol to identify 3D shapes from a few diffraction patterns will be submitted shortly. The database, which currently contains 1700 entries, will be expanded to include additional data and tested with additional experimental data.

次年度使用額が生じた理由

Since the XFEL database wasn't fully completed and we are still adding up data, I decided to postpone the purchase of the server to get a more powerful one.

  • 研究成果

    (12件)

すべて 2019 2018 その他

すべて 国際共同研究 (1件) 雑誌論文 (5件) (うち国際共著 1件、 査読あり 5件、 オープンアクセス 3件) 学会発表 (5件) (うち国際学会 2件、 招待講演 5件) 図書 (1件)

  • [国際共同研究] CNRS(フランス)

    • 国名
      フランス
    • 外国機関名
      CNRS
  • [雑誌論文] Acceleration of cryo-EM Flexible Fitting for Large Biomolecular Systems by Efficient Space Partitioning2019

    • 著者名/発表者名
      Mori Takaharu、Kulik Marta、Miyashita Osamu、Jung Jaewoon、Tama Florence、Sugita Yuji
    • 雑誌名

      Structure

      巻: 27 ページ: 161~174.e3

    • DOI

      10.1016/j.str.2018.09.004

    • 査読あり
  • [雑誌論文] Role of Computational Methods in Going beyond X-ray Crystallography to Explore Protein Structure and Dynamics2018

    • 著者名/発表者名
      Srivastava Ashutosh、Nagai Tetsuro、Srivastava Arpita、Miyashita Osamu、Tama Florence
    • 雑誌名

      International Journal of Molecular Sciences

      巻: 19 ページ: 3401~3401

    • DOI

      10.3390/ijms19113401

    • 査読あり / オープンアクセス
  • [雑誌論文] Searching for 3D structural models from a library of biological shapes using a few 2D experimental images.2018

    • 著者名/発表者名
      Tiwari SP, Tama F, Miyashita O.
    • 雑誌名

      BMC Bioinformatics

      巻: 12 ページ: 320

    • DOI

      10.1186/s12859-018-2358-0

    • 査読あり / オープンアクセス
  • [雑誌論文] Single-particle XFEL 3D reconstruction of ribosome-size particles based on Fourier slice matching: requirements to reach subnanometer resolution2018

    • 著者名/発表者名
      Nakano Miki、Miyashita Osamu、Jonic Slavica、Tokuhisa Atsushi、Tama Florence
    • 雑誌名

      Journal of Synchrotron Radiation

      巻: 25 ページ: 1010~1021

    • DOI

      10.1107/S1600577518005568

    • 査読あり / 国際共著
  • [雑誌論文] Gaussian mixture model for coarse-grained modeling from XFEL2018

    • 著者名/発表者名
      Nagai Tetsuro、Mochizuki Yuki、Joti Yasumasa、Tama Florence、Miyashita Osamu
    • 雑誌名

      Optics Express

      巻: 26 ページ: 26734~26734

    • DOI

      10.1364/OE.26.026734

    • 査読あり / オープンアクセス
  • [学会発表] Hybrid modeling approaches to study structures and dynamics of biological systems.2019

    • 著者名/発表者名
      Florence Tama
    • 学会等名
      63rd Annual Meeting of the Biophysical Society.
    • 国際学会 / 招待講演
  • [学会発表] Computational tools to characterize structure and dynamics of biomolecular systems from single molecule experiments.2018

    • 著者名/発表者名
      Florence Tama
    • 学会等名
      American Chemical Society National Meeting
    • 国際学会 / 招待講演
  • [学会発表] Hybrid modeling approaches to study structures and dynamics of biological systems2018

    • 著者名/発表者名
      Florence Tama
    • 学会等名
      Second workshop on Advances in Theory and Computation of Complex Systems - Biological Systems. Nanjing, China
    • 招待講演
  • [学会発表] Hybrid modeling approaches to study structures and dynamics of biological systems.2018

    • 著者名/発表者名
      Florence Tama
    • 学会等名
      Coarse-Grained Modeling of Structure and Dynamics of Biomacromolecules Workshop. Telluride USA
    • 招待講演
  • [学会発表] Hybrid modeling approaches to study structures and dynamics of biological systems.2018

    • 著者名/発表者名
      Florence Tama
    • 学会等名
      Annual Meeting of Biophysical Society of Japan
    • 招待講演
  • [図書] Hybrid Methods for Macromolecular Modeling by Molecular Mechanics Simulations with Experimental Data. In: Nakamura H., Kleywegt G., Burley S., Markley J. (eds) Integrative Structural Biology with Hybrid Methods. Advances in Experimental Medicine and Biology, vol 11052018

    • 著者名/発表者名
      O Miyashita, F. Tama
    • 総ページ数
      19
    • 出版者
      Springer, Singapore
    • ISBN
      978-981-13-2199-3

URL: 

公開日: 2019-12-27  

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