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ČeštinaEnglish

Microhydration of guanine cytosine base pairs, a theoretical study on the role of water in stability, structure and tautomeric equilibrium

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F09%3A00328010" target="_blank" >RIV/61388963:_____/09:00328010 - isvavai.cz</a>

  • Result on the web

    —

  • DOI - Digital Object Identifier

    —

Alternative languages

  • Result language

    angličtina

  • Original language name

    Microhydration of guanine cytosine base pairs, a theoretical study on the role of water in stability, structure and tautomeric equilibrium

  • Original language description

    The potential energy surfaces of guanine...cytosine complexes and microhydrated guanine... cytosine were investigated by the molecular dynamics/ quenching method (MD/Q), using the AMBER force field, The calculations were conducted for all the possible combinations of the four most stable tautomers of guanine and three of cytosine (covering the canonical forms in both cases). The most stable structures found at the empirical potential energy surfaces were fully reoptimised at the second-order M?ller?Plesset perturbation theory as well as using the density functional method The rising number of water molecules leads to smaller differences between the stability of the various combinations of the tautomers of bases in the base pairs.

  • Czech name

    —

  • Czech description

    —

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

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2009

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Physical Chemistry Chemical Physics

  • ISSN

    1463-9076

  • e-ISSN

    —

  • Volume of the periodical

    11

  • Issue of the periodical within the volume

    18

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    6

  • Pages from-to

    —

  • UT code for WoS article

    000265413300010

  • EID of the result in the Scopus database

    —

Similar results(10)

Microhydration of guanine center dot center dot center dot cytosine base pairs, a theoretical Study on the role of water in stability, structure and tautomeric equilibriumPotential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogueReverse Watson-Crick Isocytosine-Cytosine and Guanine-Cytosine Base Pairs Stabilized by the Formation of the Minor Tautomers of Bases. An ab initio Study in the Gas Phase and in a Water Cluster.