How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F13%3A33148301" target="_blank" >RIV/61989592:15310/13:33148301 - isvavai.cz</a>
Alternative codes found
RIV/68081707:_____/13:00399419 RIV/00216224:14740/13:00072151
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S1046202313001916" target="_blank" >http://www.sciencedirect.com/science/article/pii/S1046202313001916</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ymeth.2013.05.025" target="_blank" >10.1016/j.ymeth.2013.05.025</a>
Alternative languages
Result language
angličtina
Original language name
How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists
Original language description
In this review primarily written for non-experts we explain basic methodological aspects and interpretation of modern quantum chemical (QM) computations applied to nucleic acids. We introduce current reference QM computations on small model systems consisting of dozens of atoms. Then we comment on recent advance of fast and accurate dispersion-corrected density functional theory methods, which will allow computations of small but complete nucleic acids building blocks in the near future. The qualitativedifference between QM and molecular mechanics (MM, force field) computations is discussed. We also explain relation of QM and molecular simulation computations to experiments.
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)
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Methods
ISSN
1046-2023
e-ISSN
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Volume of the periodical
64
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
3-11
UT code for WoS article
000326430100002
EID of the result in the Scopus database
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