RUS  ENG JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PACKAGE AMSBIB
General information
Latest issue
Archive
Impact factor

Search papers
Search references

RSS
Latest issue
Current issues
Archive issues
What is RSS



Mat. Biolog. Bioinform.:
Year:
Volume:
Issue:
Page:
Find






Personal entry:
Login:
Password:
Save password
Enter
Forgotten password?
Register


Mat. Biolog. Bioinform., 2012, Volume 7, Issue 2, Pages 692–702 (Mi mbb129)  

This article is cited in 1 scientific paper (total in 1 paper)

Mathematical Modeling

The Use of Refmac Crystallographic Refinement Program for Detection of Alternative Conformations in Biological Macromolecules

Oleg V. Sobolev, Vladimir Yu. Lunin

Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Pushchino, Moscow Region, 142290, Russia

Abstract: The analysis of the shifts of atomic centers in unrestrained crystallographic refinement of macromolecular structure enables the detection of alternative conformations of polypeptide chain fragments. Decision-making procedures of the presence or absence of alternative conformations for a particular fragment are based on statistical analysis of atomic shifts obtained during the trial unrestrained refinement of large number of protein structures. The analysis also showed that probability distributions of atomic shifts appear to depend on the program used for refinement, so the decision making procedures should be adapted to the refinement program. The construction of databases with atomic shifts, their analysis and the development of automatic decision-making procedures for detection of alternative conformations with the use of popular refinement program Refmac are described in this paper.

Key words: structure of biological macromolecules, crystallographic refinement, alternative conformations.

Full text: PDF file (758 kB)
References: PDF file   HTML file
UDC: 548.737
Received 18.12.2012, Published 25.12.2012

Citation: Oleg V. Sobolev, Vladimir Yu. Lunin, “The Use of Refmac Crystallographic Refinement Program for Detection of Alternative Conformations in Biological Macromolecules”, Mat. Biolog. Bioinform., 7:2 (2012), 692–702

Citation in format AMSBIB
\Bibitem{SobLun12}
\by Oleg~V.~Sobolev, Vladimir~Yu.~Lunin
\paper The Use of Refmac Crystallographic Refinement Program for Detection of Alternative Conformations in Biological Macromolecules
\jour Mat. Biolog. Bioinform.
\yr 2012
\vol 7
\issue 2
\pages 692--702
\mathnet{http://mi.mathnet.ru/mbb129}


Linking options:
  • http://mi.mathnet.ru/eng/mbb129
  • http://mi.mathnet.ru/eng/mbb/v7/i2/p692

    SHARE: VKontakte.ru FaceBook Twitter Mail.ru Livejournal Memori.ru


    Citing articles on Google Scholar: Russian citations, English citations
    Related articles on Google Scholar: Russian articles, English articles

    This publication is cited in the following articles:
    1. Sobolev O.V., “Detection of Alternative Conformations: Shift_Plot and Ac_Prediction Programs”, J. Appl. Crystallogr., 46:2 (2013), 554–559  crossref  isi  elib  scopus
  • Number of views:
    This page:201
    Full text:40
    References:35
    First page:1

     
    Contact us:
     Terms of Use  Registration  Logotypes © Steklov Mathematical Institute RAS, 2020