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Comparisons of three-dimensional structures of proteins using hierarchical models and regularization for between-protein variations

Research Project

Project/Area Number 22500275
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Bioinformatics/Life informatics
Research InstitutionTottori University

Principal Investigator

AMISAKI Takashi  鳥取大学, 医学部, 教授 (20231996)

Co-Investigator(Kenkyū-buntansha) FUJIWARA Shin-ichi  鳥取大学, 医学部, 講師 (00362880)
Project Period (FY) 2010 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2012: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2011: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2010: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Keywords統計数学 / 生体分子 / 蛋白質 / 生体生命情報学
Research Abstract

A method for comparing protein structures was developed. We consider a collection of three-dimensional coordinates of multiple proteins in which each protein has multiple conformations. The method exploits this protein-conformation hierarchy, and is based on the mixed-effects models on between- and within-protein variability. The estimation procedure is that of the EM-algorithm, in which the individual deviations of proteins are estimated and restricted using maximum-a-posteriori estimatorsand L1-regularization. At each iteration of the algorithm, the superposition of conformations can be made using a usual singular-value-decomposition but for specializedcovariance matrices. The results of numerical tests indicate that the method can be effective for characterizing the structures of multiple proteins simultaneously.

Report

(4 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Annual Research Report
  • 2010 Annual Research Report
  • Research Products

    (4 results)

All 2013 2011

All Journal Article (4 results) (of which Peer Reviewed: 4 results)

  • [Journal Article] Fatty acid binding to serum albumin: Molecular simulation approaches2013

    • Author(s)
      S. Fujiwara and T. Amisaki
    • Journal Title

      Biochim. Biophys. Acta

    • NAID

      120006724720

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Fatty acid binding to serum albumin: Molecular simulation approaches.2013

    • Author(s)
      Fujiwara S
    • Journal Title

      Biochim Biophys Acta

      Volume: 1830 Issue: 12 Pages: 5427-5434

    • DOI

      10.1016/j.bbagen.2013.03.032

    • NAID

      120006724720

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Steric and allosteric effects of fatty acids on the binding of warfarin to human serum albumin revealed by molecular dynamics and free energy calculations2011

    • Author(s)
      S. Fujiwara and T. Amisaki
    • Journal Title

      Chem. Pharm. Bull.

      Volume: 59 Pages: 860-867

    • NAID

      130000748020

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Steric and Allosteric Effects of Fatty Acids on the Binding of Warfarin to Human Serum Albumin Revealed by Molecular Dynamics and Free Energy Calculations2011

    • Author(s)
      Fujiwara, S.
    • Journal Title

      Chemical and Pharmaceutical Bulletin

      Volume: 59 Issue: 7 Pages: 860-867

    • DOI

      10.1248/cpb.59.860

    • NAID

      130000748020

    • ISSN
      0009-2363, 1347-5223
    • Related Report
      2011 Annual Research Report
    • Peer Reviewed

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Published: 2010-08-23   Modified: 2019-07-29  

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