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Vibrational circulardichroism and IR spectral analysis as a test of theoretical conformational modeling for a cyclic hexapeptide
- 1.0315675 - ÚOCHB 2009 RIV US eng J - Journal Article
Bouř, Petr - Kim, J. - Kapitán, Josef - Hammer, R. P. - Huang, R. - Wu, L. - Keiderling, T. A.
Vibrational circulardichroism and IR spectral analysis as a test of theoretical conformational modeling for a cyclic hexapeptide.
[Vibrační cirkulární dicrhoismus a IČ spektrální analýza jako test konformačního chování cycklického hexapeptidu.]
Chirality. Roč. 20, č. 10 (2008), s. 1104-1119. ISSN 0899-0042. E-ISSN 1520-636X
R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
Grant - others:NSF(US) CHE-0316014; NSF(US) CHE-0718543
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational circular dichroism * peptide * conformation * ab initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.212, year: 2008
A model cyclohexapeptide, cyclo-(Phe-DPro-Gly-Arg-Gly-Asp)was synthesizedand its IR and VCD spectra were used as a test of density functional theory (DFT)level predictions of spectral intensities for a peptide with a nonrepeating but partially constricted conformation.
Modelový cyklopeptid byl syntetizován a jeho IC a VCD spektra použita jako test DFT metod pro predikce spektrálních intenzit neperiodických peptidů.
Permanent Link: http://hdl.handle.net/11104/0165810
Number of the records: 1