Structure, Energetics, Vibrational Frequencies and Charge Transfer of Base Pairs, Nucleoside Pairs, Nucleotide Pairs and B-DNA Pairs of Trinucleotides: ab initio HF/MINI-1 and Empirical Force Field Study.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F00%3A54000101" target="_blank" >RIV/61388955:_____/00:54000101 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Structure, Energetics, Vibrational Frequencies and Charge Transfer of Base Pairs, Nucleoside Pairs, Nucleotide Pairs and B-DNA Pairs of Trinucleotides: ab initio HF/MINI-1 and Empirical Force Field Study.
Original language description
Geometries, interaction energies and vibrational frequencies of base pairs, nucleoside pairs and nucleotide pairs were studied by ab initio method and empirical AMBER 4.1 force field.A good agreement was found between HF/MINI-1 and AMBER results. Stabilization energies of clusters are lowered when passing from base pairs to nucleoside, nucleotide pairs and to pairs of trinucleotides. The lowest vibrations of base pairs and nucleoside pairs correspond to intermolecular motions of bases.
Czech name
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Czech description
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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
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Project
<a href="/en/project/GA203%2F97%2F0029" target="_blank" >GA203/97/0029: Structure and dynamics of DNA</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2000
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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