A Quantitative Reconstruction of the Amide I Contour in the IR Spectra of Globular Proteins: From Structure to Spectrum
作者： Carol R. Flach , Richard Mendelsohn , Joseph W. Brauner
DOI: 10.1021/JA0400685
关键词:
摘要: The broad amide I band in the infrared spectrum of peptides and proteins is accurately simulated with coupled oscillator model Miyazawa. Formulas for modeling geometry-dependent interactions between peptide groups needed to reproduce contour a or protein known structure are given. accuracy utility this approach suggested through several examples which cannot be acquired by standard high-resolution technologies.
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