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Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a...

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F05%3A00020898" target="_blank" >RIV/61388963:_____/05:00020898 - isvavai.cz</a>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a...

  • Original language description

    Stabilization energies of the H-bonded and stacked structures of a DNA base pair were studied in the crystal structures of adenine-thymine, cytosine-guanine, and adenine-cytosine steps as well as in the 5'-d(GCGAAGC)-3'hairpin (utilizing the NMR geometry). The stacking accounts for a significant part of the overall stabilization. It contributes equally to the stability of DNA as does H-bonding for AT rich DNAs while in the case of GC rich DNAs it forms about one third of the total stabilization.

  • Czech name

    Stabilizační energie vodíkově a disperzně vázaných párů bazí nukleových kyselin v krystalových geometriích a v NMR geometrii hairpinu 5'-d(GCGAAGC)-3': Výpočty v úplné bázové limitě metodami MP2 a CCSD(T)

  • Czech description

    Byly studovány stabilizační energie vodíkově vázaných a disperzně vázaných párů bazí v geometriích vzatých z krystalových struktur i z NMR studií (5'-d(GCGAAGC)-3'hairpin). V sekvencích bohatých na adenin a thymin přispívá disperzní (stack) interakce k celkové stabilitě stejnou měrou jako vazba vodíkovými vazbami. V GC bohatých sekvencích tvoří disperzní interakce přibližně třetinu celkové interakční energie.

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/GA203%2F05%2F0009" target="_blank" >GA203/05/0009: Structure and dynamics of DNA nitrogeneous bases, base pairs, oligonucleotides and their complexes with water, ions and drugs</a><br>

  • Continuities

    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. A

  • ISSN

    1089-5639

  • e-ISSN

  • Volume of the periodical

    109

  • Issue of the periodical within the volume

    -

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    6

  • Pages from-to

    1131-1136

  • UT code for WoS article

  • EID of the result in the Scopus database