Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F03%3A57030079" target="_blank" >RIV/61388963:_____/03:57030079 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins.
Original language description
An example of the application of DFT methods for the quantitative estimates of complexation energies of several TM ions (Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ , and Hg 2+ ) in general metal-binding sites in metalloproteins is presented.
Czech name
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Czech description
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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
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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
International Journal of Quantum Chemistry
ISSN
0020-7608
e-ISSN
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Volume of the periodical
91
Issue of the periodical within the volume
N/A
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
504-510
UT code for WoS article
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EID of the result in the Scopus database
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