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Outer-shell and inner-shell coordination of phosphate group to hydrated metal ions (Mg2+, Cu2+, Zn2+, Cd2+) in the presence and absence of nucleobase. The role of nonelectrostatic effects.

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081707%3A_____%2F03%3A17033121" target="_blank" >RIV/68081707:_____/03:17033121 - isvavai.cz</a>

  • Alternative codes found

    RIV/61388963:_____/03:17033121

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Outer-shell and inner-shell coordination of phosphate group to hydrated metal ions (Mg2+, Cu2+, Zn2+, Cd2+) in the presence and absence of nucleobase. The role of nonelectrostatic effects.

  • Original language description

    Inner-shell binding of selected hydrated metal ions (Mg2+, Cu2+, Zn2+, and Cd2+) to the guanine N7 position accompanied with outer- and inner-shell binding to an anionic phosphate group is investigated using quantum chemical approaches. The study is focused on the mutual interplay between the metal-phosphate and metal-nucleobase binding and the role of nonelectrostatic effects in the metal binding as these contributions are not included in conventional empirical force fields.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    BO - Biophysics

  • 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

    2003

  • 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 B

  • ISSN

    1520-6106

  • e-ISSN

  • Volume of the periodical

    107

  • Issue of the periodical within the volume

    8

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    11

  • Pages from-to

    1913-1923

  • UT code for WoS article

  • EID of the result in the Scopus database