Simulation of infrared spectra for beta-hairpin peptides stabilized by an Aib-Gly turn sequence: Correlation between conformational fluctuation and vibrational coupling
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F06%3A00043934" target="_blank" >RIV/61388963:_____/06:00043934 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Simulation of infrared spectra for beta-hairpin peptides stabilized by an Aib-Gly turn sequence: Correlation between conformational fluctuation and vibrational coupling
Original language description
Vibrational spectra of a 12-residue beta hairpin peptide, RYVEVBGKKILQ (HBG), stabilized by an Aib-Gly turn sequence (B=Aib) were investigated theoretically using a combination of molecular dynamics (MD) and density functional theory (DFT) calculations.
Czech name
Simulace infračervených spekter beta-hairpinových peptidů stabilizovaných sekvencí Aib-Gly. Korelace mezi conformační flexibilitou a vibračními interakcemi
Czech description
Vibrační spektra modelového 12-peptidu v konformaci beta-hairpin, který je stabilizován sekvencí Aib-Gly, byla teoreticky analyzována za pomoci molekulově mechanických a kvantových DFT výpočtů.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2006
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry B
ISSN
1520-6106
e-ISSN
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Volume of the periodical
110
Issue of the periodical within the volume
46
Country of publishing house
US - UNITED STATES
Number of pages
13
Pages from-to
23590-23602
UT code for WoS article
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EID of the result in the Scopus database
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