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Matematicheskaya Biologiya i Bioinformatika, 2015, Volume 10, Issue 2, Pages 562–566
DOI: https://doi.org/10.17537/2015.10.562
(Mi mbb244)
 

Mathematical Modeling

Estimate of the free energy using calculations of dynamics in the semiclassical Holstein model

V. D. Lakhno, N. S. Fialko

Institute of Mathematical Problems of Biology, Pushchino, Moscow Region, Russia
References:
Abstract: We considered two ways of finding the free energy, using thermodynamic equilibrium characteristics, which are calculated by direct computational experiments. The results of calculations are described for homogeneous nucleotide dimers AA, GG and TT. Both of these methods yield similar results for biologically relevant temperatures.
Key words: DNA, dimer, Langevin equation, the total energy, entropy.
Funding agency Grant number
Russian Foundation for Basic Research 14-07-00894_а
15-07-06426_а
13-07-00331_а
13-07-00256_а
Received 10.11.2015, Published 11.12.2015
Document Type: Article
UDC: 51-73: 53.096
Language: Russian
Citation: V. D. Lakhno, N. S. Fialko, “Estimate of the free energy using calculations of dynamics in the semiclassical Holstein model”, Mat. Biolog. Bioinform., 10:2 (2015), 562–566
Citation in format AMSBIB
\Bibitem{LakFia15}
\by V.~D.~Lakhno, N.~S.~Fialko
\paper Estimate of the free energy using calculations of dynamics in the semiclassical Holstein model
\jour Mat. Biolog. Bioinform.
\yr 2015
\vol 10
\issue 2
\pages 562--566
\mathnet{http://mi.mathnet.ru/mbb244}
\crossref{https://doi.org/10.17537/2015.10.562}
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