Ab initio simulation of infrared and vibrational circular dichroism spectra of peptide B-sheets and B-hairpins.

被引：0

作者：

Kubelka, J ^{[1
]}

Keiderling, TA ^{[1
]}

机构：

[1] Univ Illinois, Chicago, IL 60607 USA

来源：

BIOPHYSICAL JOURNAL | 2001年 / 80卷 / 01期

关键词：

D O I：

暂无

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

1255

引用

页码：302A / 303A

页数：2

共 42 条

[31] Simulation of emission spectra of the PF2 (B-2(2)->X(2)B(1)) transition by ab initio calculation and Franck-Condon analysis
Lee, EPF
Wang, DC
Chau, FT
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (51): : 19795 - 19800
[32] Structural properties of the putative fusion peptide of hepatitis B virus upon interaction with phospholipids - Circular dichroism and Fourier-transform infrared spectroscopy studies
RodriguezCrespo, I
GomezGutierrez, J
Encinar, JA
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Albar, JP
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EUROPEAN JOURNAL OF BIOCHEMISTRY, 1996, 242 (02): : 243 - 248
[33] Structural properties of the putative fusion peptide of hepatitis B virus upon interaction with phospholipids - Circular dichroism and Fourier-transform infrared spectroscopy studies
European Journal of Biochemistry, 242 (02):
[34] ab initio calculation study on vibrational spectra of C2B10H12,NB11H12 and C2B10H11Cl
于微舟
张明瑜
孙家钟
Science China Chemistry, 1996, (05) : 449 - 455
[35] Ab initio calculation study on vibrational spectra of C2B10H12, NB11H12 and C2B10H11Cl
Sci China Ser B Chem, 5 (449):
[36] Ab initio calculation study on vibrational spectra of C2B10H12, NB11H12 and C2B10H11Cl*
Yu, WZ
Zhang, MY
Sun, JH
Sun, CC
SCIENCE IN CHINA SERIES B-CHEMISTRY, 1996, 39 (05): : 449 - 455
[37] FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations
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Periandy, S.
Elanchezhian, B.
Mohan, S.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2011, 78 (01) : 429 - 436
[38] (X)over-tilde1A1, (a)over-tilde3B1, and (A)over-tilde1B1 states of SiCl2:: Ab initio calculations and simulation of emission spectra
Chau, FT
Wang, DC
Lee, EPF
Dyke, JM
Mok, DKW
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (25): : 4925 - 4932
[39] VIBRATIONAL CIRCULAR-DICHROISM OF NUCLEIC ACIDS-I - A-FORM, B-FORM, AND Z-FORM SPECTRA IN THE PO2-STRETCHING REGION .2. POLY(DI-DC).POLY(DI-DC)
WANG, LJ
KEIDERLING, TA
BIOPHYSICAL JOURNAL, 1993, 64 (02) : A279 - A279
[40] Fourier transform infrared and Raman spectra -: Semi empirical AM1 and PM3; MP2/DZV and DFT/B3LYP-6-31G(d) ab initio calculations for dimethylterephthalate (DMT)
Téllez, CA
Hollauer, E
Giannerini, T
da Silva, MIP
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2004, 60 (8-9) : 2171 - 2180

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