Počet záznamů: 1

Theoretical Modeling of Peptide .alpha.-Helical Circular Dichroism in Aqueous Solution

  1. 1.
    0359110 - UOCHB-X 2012 RIV US eng J - Článek v odborném periodiku
    Kaminský, Jakub - Kubelka, J. - Bouř, Petr
    Theoretical Modeling of Peptide .alpha.-Helical Circular Dichroism in Aqueous Solution.
    Journal of Physical Chemistry A. Roč. 115, č. 9 (2011), s. 1734-1742 ISSN 1089-5639
    Grant CEP: GA AV ČR IAA400550702; GA ČR GPP208/10/P356; GA ČR GAP208/11/0105
    Grant ostatní: AV ČR(CZ) M200550902
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: circular dichroism * DFT * transition dipole coupling
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.946, rok: 2011

    In this study, the time-dependent density functional theory (TDDFT), configuration interaction with single excitation (CIS), and transition dipole coupling (TDC), were used to asses the most important factors contributing to the CD spectra of .alpha.-helical secondary structure.
    Trvalý link: http://hdl.handle.net/11104/0006425