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Accurate interaction energies of hydrogen-bonded nucleic acid base pairs

    1.
    SYSNO ASEP0104705
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JOstatní články
    TitleAccurate interaction energies of hydrogen-bonded nucleic acid base pairs
    TitlePřesné interakční energie párů nukleových kyselin spojených vodíkovou vazbou
    Author(s) Šponer, Jiří (UFCH-W)
    Jurečka, Petr (UFCH-W)
    Hobza, Pavel (UFCH-W)
    Source TitleJournal of the American Chemical Society. - : American Chemical Society - ISSN 0002-7863
    Roč. 126, č. 32 (2004), s. 10142-10151
    Number of pages10 s.
    Languageeng - English
    CountryUS - United States
    Keywordshydrogen-bonded nucleic acid base pairs ; binding enerigy ; basis-set calculations
    Subject RIVBO - Biophysics
    R&D ProjectsLN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    CEZAV0Z5004920 - BFU-R
    AnnotationHydrogen-bonded nucleic acids base pairs substantially contribute to the structure and stability of nucleic acids. The study presents reference ab initio structures and interaction energies of selected base pairs with binding energies ranging from -5 to -47 kcal/mol. The molecular structures are obtained using the RI-MP2 method with extended cc-pVTZ basis set of atomic orbitals. The interaction energies are calculated using the Complete Basis Set (CBS) extrapolation at the RI-MP2 level.
    WorkplaceInstitute of Biophysics
    ContactJana Poláková, polakova@ibp.cz, Tel.: 541 517 244
    Year of Publishing2005
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