Biophysics

, Volume 60, Issue 6, pp 886–892 | Cite as

Prediction of protein conformational mobility with validation using small-angle X-ray scattering

  • S. N. Knyazev
  • V. Yu. Kalyakin
  • I. N. Deryabin
  • B. A. Fedorov
  • A. V. Smirnov
  • E. O. Stepanov
  • Yu. B. Porozov
Molecular Biophysics

Abstract

A “coarse-grained” model of protein conformational mobility is presented. The conformational paths in five proteins, predicted using the model, are compared with those obtained by the nearest-neighbor method basing on the small-angle X-ray scattering data. The sequences of conformations evaluated with the help of these two approaches have been shown for all proteins under consideration to coincide well; yet there are exceptions, their causes having to be considered for each protein separately.

Keywords

protein conformational mobility coarse-grained models small-angle X-ray scattering transportation problem conformational paths motion prediction 

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Copyright information

© Pleiades Publishing, Inc. 2015

Authors and Affiliations

  • S. N. Knyazev
    • 1
  • V. Yu. Kalyakin
    • 1
  • I. N. Deryabin
    • 1
  • B. A. Fedorov
    • 1
  • A. V. Smirnov
    • 1
  • E. O. Stepanov
    • 1
    • 2
    • 3
  • Yu. B. Porozov
    • 1
  1. 1.ITMO UniversitySt. PetersburgRussia
  2. 2.St. Petersburg Department of Steklov Institute of Mathematics of the Russian Academy of SciencesSt. PetersburgRussia
  3. 3.St. Petersburg State UniversitySt. PetersburgRussia

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