DocumentCode
2240342
Title
Amide I IR, VCD, and 2D IR Spectra of polypeptide and Ubiquitin: Numerical simulation studies
Author
Choi, Jun-Ho ; Cho, Minhaeng
Author_Institution
Dept. of Chem. & Center for Multidimensional Spectrosc., Korea Univ., Seoul
fYear
2007
fDate
26-31 Aug. 2007
Firstpage
1
Lastpage
2
Abstract
A computational scheme were established for numerical simulations of amide I IR absorption, vibrational circular dichroism (VCD), and 2D IR photon echo spectra of different secondary structure peptides and the protein ubiquitin in solution. We compared these simulated spectra with experiments and found good agreements between theory and experiments.
Keywords
circular dichroism; infrared spectra; numerical analysis; photon echo; proteins; vibrational modes; 2D IR photon echo spectra; amide I IR absorption; numerical simulation; polypeptide; protein ubiquitin; secondary structure peptides; vibrational circular dichroism; Approximation methods; Chemistry; Computational modeling; Electromagnetic wave absorption; Frequency; Infrared spectra; Numerical simulation; Peptides; Proteins; Spectroscopy;
fLanguage
English
Publisher
ieee
Conference_Titel
Lasers and Electro-Optics - Pacific Rim, 2007. CLEO/Pacific Rim 2007. Conference on
Conference_Location
Seoul
Print_ISBN
978-1-4244-1173-3
Electronic_ISBN
978-1-4244-1174-0
Type
conf
DOI
10.1109/CLEOPR.2007.4391237
Filename
4391237
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