Ramachandran Plot for Alanine Dipeptide as Determined from Raman Optical Activity

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F13%3A33144436" target="_blank" >RIV/61989592:15310/13:33144436 - isvavai.cz</a>

Alternative codes found

RIV/61388963:_____/13:00396128 RIV/60461373:22340/13:43895082

Result on the web

<a href="http://dx.doi.org/10.1021/jz401366j" target="_blank" >http://dx.doi.org/10.1021/jz401366j</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jz401366j" target="_blank" >10.1021/jz401366j</a>

Result language

angličtina

Original language name

Ramachandran Plot for Alanine Dipeptide as Determined from Raman Optical Activity

Original language description

Accessible values of the phi and psi torsional angles determining peptide main chain conformation are traditionally displayed in the form of Ramachandran plots. The number of experimental methods making it possible to determine such conformational distribution is limited. In the present study, Raman optical activity (ROA) spectra of Ac-Ala-NHMe were measured and fit by theoretical curves. This revealed the most favored conformers and a large part of the potential energy surface (PES) of this model dipeptide. Such experimental PES compares well to quantum chemical computations, whereas molecular dynamics (MD) modeling reproduces it less faithfully. The surface shape is consistent with the temperature dependence of the spectra, as observed experimentallyand predicted by MD. Despite errors associated with spectral modeling and the measurement, the results are likely to facilitate future applications of ROA spectroscopy.

Czech name

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Czech description

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Type

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

CEP classification

BH - Optics, masers and lasers

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)

Publication year

2013

Confidentiality

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

Name of the periodical

Journal of Physical Chemistry Letters

ISSN

1948-7185

e-ISSN

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Volume of the periodical

4

Issue of the periodical within the volume

16

Country of publishing house

US - UNITED STATES

Number of pages

6

Pages from-to

2763-2768

UT code for WoS article

000323300900028

EID of the result in the Scopus database

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