Biomolecular vibrational spectroscopy

Methods in Molecular Biophysics, Spring 2009

Basics of normal mode theoryAmide vibrations in proteins

Nuclear resonance vibrational spectroscopyTwo-dimensional vibrational spectroscopy

Small molecule vibrational spectoscopy

Amide vibrational spectra in proteins

Deconvoluting complex spectra

Deconvoluting complex spectra

Fitting conformational preferences

Fitting conformational preferences

Complementary vibrational probes

cf. Guo, et al. Inorg. Chem. 47:3969, 2008

Nuclear resonance vibrational spectroscopy

“vibrationalMossbauer”

only 57Fecontributes (nobackground)

intensity isproportion to KEin mode due toiron

“acoustic”librational modesvisible (inprinciple)

Model compound IR spectra

Model compound Raman spectra

Model compound NRVS spectra

Moving to a ferrdoxin protein

Isotope shifts in the protein environment