Journal
JOURNAL OF CHEMICAL EDUCATION
Volume 88, Issue 9, Pages 1268-1273Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ed200060t
Keywords
Graduate Education/Research; Upper-Division Undergraduate; Biochemistry; Polymer Chemistry; Computer-Based Learning; Distance Learning/Self Instruction; Biophysical Chemistry; Computational Chemistry; Proteins/Peptides; Spectroscopy
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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 alpha-helix, beta-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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