Title : ( Geometrical comparison of two protein structures using Wigner-D functions )
Authors: Seyed Majid Saberi Fathi , Diana T. White , Jack A. Tuszynski ,
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Abstract
In this article, we develop a quantitative comparison method for two arbitrary protein structures. This method uses a rootmean-square deviation characterization and employs a series expansion of the protein’s shape function in terms of the Wigner-D functions to define a new criterion, which is called a “similarity value.” We further demonstrate that the expansion coefficients for the shape function obtained with the help of the Wigner-D functions correspond to structure factors. Our method addresses the common problem of comparing two proteins with different numbers of atoms. We illustrate it with a worked example.
Keywords
, protein structure; protein classification; computational methods; Wigner, D functions; root, mean, square deviation; tubulin; Fourier transform; reciprocal space; similarity value; correlation value
@article{paperid:1043394,
author = {Saberi Fathi, Seyed Majid and Diana T. White and Jack A. Tuszynski},
title = {Geometrical comparison of two protein structures using Wigner-D functions},
journal = {Proteins: Structure, Function, and Bioinformatics},
year = {2014},
volume = {82},
number = {10},
month = {October},
issn = {0887-3585},
pages = {2756--2769},
numpages = {13},
keywords = {protein structure; protein classification; computational methods; Wigner-D functions; root-mean-square deviation; tubulin; Fourier transform; reciprocal space; similarity value; correlation value},
}
%0 Journal Article
%T Geometrical comparison of two protein structures using Wigner-D functions
%A Saberi Fathi, Seyed Majid
%A Diana T. White
%A Jack A. Tuszynski
%J Proteins: Structure, Function, and Bioinformatics
%@ 0887-3585
%D 2014
