Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F14%3A33152293" target="_blank" >RIV/61989592:15310/14:33152293 - isvavai.cz</a>
Alternative codes found
RIV/68081707:_____/14:00435961 RIV/00216224:14740/14:00076672
Result on the web
<a href="http://pubs.acs.org/doi/pdf/10.1021/jz500557y" target="_blank" >http://pubs.acs.org/doi/pdf/10.1021/jz500557y</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jz500557y" target="_blank" >10.1021/jz500557y</a>
Alternative languages
Result language
angličtina
Original language name
Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome
Original language description
We present a brief overview of explicit solvent molecular dynamics (MD) simulations of nucleic acids. We explain physical chemistry limitations of the simulations, namely, the molecular mechanics (MM) force field (FF) approximation and limited time scale. Further, we discuss relations and differences between simulations and experiments, compare standard and enhanced sampling simulations, discuss the role of starting structures, comment on different versions of nucleic acid FFs, and relate MM computations with contemporary quantum chemistry. Despite its limitations, we show that MD is a powerful technique for studying the structural dynamics of nucleic acids with a fast growing potential that substantially complements experimental results and aids theirinterpretation.
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)
Others
Publication year
2014
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 Letters
ISSN
1948-7185
e-ISSN
—
Volume of the periodical
5
Issue of the periodical within the volume
10
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
"1771?1782"
UT code for WoS article
000336199000027
EID of the result in the Scopus database
—