Noncovalent interactions in biochemistry
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F11%3A00367952" target="_blank" >RIV/61388963:_____/11:00367952 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/11:33119295
Result on the web
<a href="http://dx.doi.org/10.1002/wcms.8" target="_blank" >http://dx.doi.org/10.1002/wcms.8</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/wcms.8" target="_blank" >10.1002/wcms.8</a>
Alternative languages
Result language
angličtina
Original language name
Noncovalent interactions in biochemistry
Original language description
Noncovalent interactions are known to play a key role in biochemistry. The knowledge of stabilization (relative) energies and their components is very important for understanding the nature of these interactions. Accurate and benchmark data on interaction (relative) energies and structures can be obtained from coupledcluster with single and double and perturbative triple excitations [CCSD(T)] calculations with extended basis of atomic orbitals or even at the complete basis set limit. These methods cannot be, however, used for systems larger than about 50 atoms. In this contribution, the applicability and performance of various recently introduced wavefunction and density functional methods are examined in detail.
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
<a href="/en/project/LC512" target="_blank" >LC512: Center for biomolecules and complex molecular systems</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Wiley Interdisciplinary Reviews - Computational Molecular Science
ISSN
1759-0876
e-ISSN
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Volume of the periodical
1
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
15
Pages from-to
3-17
UT code for WoS article
000295991000002
EID of the result in the Scopus database
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