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方向依存的蛋白質モデリング力場の更なる発展と応用

Research Project

Project/Area Number 24570184
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Biophysics
Research InstitutionOsaka University

Principal Investigator

リャン スートウ  大阪大学, 免疫学フロンティア研究センター, 特任助教 (30598157)

Project Period (FY) 2012-04-01 – 2015-03-31
Project Status Discontinued (Fiscal Year 2014)
Budget Amount *help
¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
Fiscal Year 2014: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2013: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2012: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Keywordsタンパク質ループモデリング / タンパク質の設計 / タンパク質力場 / 蛋白質 - 蛋白質相互作用 / 蛋白質ー蛋白質相互作用
Outline of Annual Research Achievements

In 2014 fiscal year, we applied the OSCAR force fields for protein decoy selection. Among decoys refined with the same procedure, the OSCAR-force fields are good in selecting the one with a low RMSD (root mean square deviation) to the native structure. The high performance of OSCAR force fields in protein decoy selection boost our confidence to apply the force fields for protein design.
So far, although there has been none in FY2014, we published three papers supported by this grant achieving our minimum goal in publication. However, we did not finish all of research work as planned. Especially, we did not finish and computationally test the protein interface design program based on the OSCAR force fields because my work contract with Osaka University ended in Oct 2014 and the Kakenhi was planned for the time period between April 2012 and March 2015. I left Japan at the end of October 2014 and turned in all of remaining fund.

Report

(3 results)
  • 2014 Annual Research Report
  • 2013 Research-status Report
  • 2012 Research-status Report
  • Research Products

    (3 results)

All 2014 2013 2012

All Journal Article (3 results) (of which Peer Reviewed: 3 results)

  • [Journal Article] LEAP: Highly accurate prediction of protein loop conformations by integrating coarse-grained sampling and optimized energy scores with all-atom refinement of backbone and side chains2014

    • Author(s)
      Liang S, Zhang C, Zhou Y
    • Journal Title

      J Comput Chem

      Volume: 35 Issue: 4 Pages: 335-341

    • DOI

      10.1002/jcc.23509

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] A novel function prediction approach using protein overlap networks2013

    • Author(s)
      Liang S, Zheng D, Standley DM, Guo H, Zhang C
    • Journal Title

      BMC Syst Biol

      Volume: 7 Issue: 1 Pages: 61-61

    • DOI

      10.1186/1752-0509-7-61

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Protein Loop Modeling with Optimized Backbone Potential Functions2012

    • Author(s)
      Shide Liang *, Chi Zhang, Jamica Sarmiento ,and Daron M. Standley
    • Journal Title

      J. Chem. Theory Comput.

      Volume: 8(5) Issue: 5 Pages: 1820-1827

    • DOI

      10.1021/ct300131p

    • Related Report
      2012 Research-status Report
    • Peer Reviewed

URL: 

Published: 2013-05-31   Modified: 2019-07-29  

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