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Vibrational spectral simulation for peptides of mixed secondary structure: Method comparisons with the Trpzip model hairpin

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F05%3A00025430" target="_blank" >RIV/61388963:_____/05:00025430 - isvavai.cz</a>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Vibrational spectral simulation for peptides of mixed secondary structure: Method comparisons with the Trpzip model hairpin

  • Original language description

    Infrared absorption and vibrational circular dichroism spectra of model fragments of TrpZip style beta-hairpin structures are simulated using density functional theory methods to estimate the influence of fragment size, end effects, conformational irregularities, peptide side. chains, and solvent.

  • Czech name

    Simulace vibračních spekter peptidů s nehomogenní sekundární strukturou. Metodologické srovnání pro modelový hairpin

  • Czech description

    Infračervená absorpční a cirkulárně dichroická spektra modelových fragmentů peptidů obsahujících beta-hairpin byla simulována pomocí DFT a zkoumán vliv velikosti fragmentu,detailní struktury a rozpouštědla na výsledné intenzity.

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

Result continuities

  • Project

    <a href="/en/project/IAA4055104" target="_blank" >IAA4055104: Molecular Structural Studies with Circular-Dichroic and NMR Spectra</a><br>

  • Continuities

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

Others

  • Publication year

    2005

  • 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

    1089-5647

  • e-ISSN

  • Volume of the periodical

    109

  • Issue of the periodical within the volume

    -

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    11

  • Pages from-to

    23687-23697

  • UT code for WoS article

  • EID of the result in the Scopus database