Geometrical comparison of two protein structures using Wigner-D functions

Autor: Diana White, Jack A. Tuszynski, Seyed Majid Saberi Fathi
Rok vydání: 2014
Předmět:
Zdroj: Proteins: Structure, Function, and Bioinformatics. 82:2756-2769
ISSN: 0887-3585
DOI: 10.1002/prot.24640
Popis: 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.
Databáze: OpenAIRE