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تسجيل مستخدم جديدGeometrical comparison of two protein structures using Wigner-D functions
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In this paper, we develop a quantitative comparison method for two arbitrary protein structures. This method uses a root-mean-square deviation (RMSD) characterization and employs a series expansion of the proteins 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.
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