Russian version English version
Volume 10   Issue 2   Year 2015
Estimate of the Free Energy Using Calculations of Dynamics in the Semiclassical Holstein Model

Lakhno V.D., Fialko N.S.

Institute of Mathematical Problems of Biology, Pushchino, Moscow Region, Russia

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.
Table of Contents Original Article
Math. Biol. Bioinf.
doi: 10.17537/2015.10.562
published in Russian

Abstract (rus.)
Abstract (eng.)
Full text (rus., pdf)


  Copyright IMPB RAS © 2005-2024