• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to project page

2012 Fiscal Year Final Research Report

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

Research Project

  • PDF
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
Keywords統計数学 / 生体分子 / 蛋白質
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.

  • Research Products

    (2 results)

All 2013 2011

All Journal Article (2 results) (of which Peer Reviewed: 2 results)

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

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

      Biochim. Biophys. Acta

    • 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

    • Peer Reviewed

URL: 

Published: 2014-08-29   Modified: 2015-10-15  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi