A Simple Spreadsheet Program To Simulate and Analyze the Far-UV Circular Dichroism Spectra of Proteins
2011/06/22 by Luciano A. Abriata · 14 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Computer Science · #Protein Structure and Dynamics #Enzyme Structure and Function #Computational Drug Discovery Methods
paper · doi:10.1021/ed200060t
Abstract
A simple algorithm was implemented in a spreadsheet program to simulate the circular dichroism spectra of proteins from their secondary structure content and to fit α-helix, β-sheet, and random coil contents from experimental far-UV circular dichroism spectra. The physical basis of the method is briefly reviewed within the context of protein structure, and the mathematical aspects of the approach are given together with ready-to-use code and examples. The work illustrates the use of simple yet powerful programming tools for simulations and data analysis in class and provides a means to explore the circular dichroism spectra of proteins and the applications of this spectroscopic technique to the study of proteins.
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