Geometrical comparison of two protein structures using Wigner-D functions
ABSTRACT In this article, we develop a quantitative comparison method for two arbitrary protein structures. This method uses a root‐mean‐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,...
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Published in | Proteins, structure, function, and bioinformatics Vol. 82; no. 10; pp. 2756 - 2769 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
United States
Blackwell Publishing Ltd
01.10.2014
Wiley Subscription Services, Inc |
Subjects | |
Online Access | Get full text |
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Summary: | ABSTRACT
In this article, we develop a quantitative comparison method for two arbitrary protein structures. This method uses a root‐mean‐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. Proteins 2014; 82:2756–2769. © 2014 Wiley Periodicals, Inc. |
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Bibliography: | istex:7F49BAEE0C5F6CC50A4776EFEB85BDF6D4C4ADC0 ark:/67375/WNG-1G7P1XLD-C Ferdowsi University of Mashhad (to SMSF) - No. 2/22306 ArticleID:PROT24640 ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0887-3585 1097-0134 |
DOI: | 10.1002/prot.24640 |