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...
Result 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.
Keywords
The result's identifiers
Result code in IS VaVaI
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
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
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
—
Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
CF - Physical chemistry and theoretical chemistry
Year of implementation
2005