Structure, spectra and the effects of twisting of beta-sheet peptides. A density functional theory study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F04%3A00101978" target="_blank" >RIV/61388963:_____/04:00101978 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Structure, spectra and the effects of twisting of beta-sheet peptides. A density functional theory study

Original language description

The structure, infrared (IR) absorption and vibrational circular dichroism (VCD) spectra and their response to twisting of a model peptide dimer (Ac-Ala3-NHMe)2 in vacuum is calculated with density functional theory (DFT) and compared in terms of twisting energetics

Czech name

Struktura, spektra a vliv neplanarity peptidových beta-listů. Studie pomocí teorie elektronové hustoty

Czech description

Struktura, absorpční a vibrační cirkulárně-dichroická spektra a jejich závislost na geometrii modelového dimeru byla studována na základě kvantových výpočtů

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2004

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Molecular Structure: Theochem

ISSN

0166-1280

e-ISSN

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Volume of the periodical

675

Issue of the periodical within the volume

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Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

11

Pages from-to

95-105

UT code for WoS article

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EID of the result in the Scopus database

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