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How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists.

Authors :
Šponer, Jiří
Šponer, Judit E.
Mládek, Arnošt
Banáš, Pavel
Jurečka, Petr
Otyepka, Michal
Source :
Methods. Nov2013, Vol. 64 Issue 1, p3-11. 9p.
Publication Year :
2013

Abstract

Highlights: [•] Applications of modern quantum chemical (QM) methods to nucleic acids are explained. [•] Prospect of large-scale QM calculations of nucleic acids is introduced. [•] Fundamental difference between modern QM and force field calculations is discussed. [•] Relation of QM and simulation studies to experiments is explained. [Copyright &y& Elsevier]

Details

Language :
English
ISSN :
10462023
Volume :
64
Issue :
1
Database :
Academic Search Index
Journal :
Methods
Publication Type :
Academic Journal
Accession number :
91694143
Full Text :
https://doi.org/10.1016/j.ymeth.2013.05.025