Comment to “Melting of genomic DNA: Predictive modeling by nonlinear lattice dynamics”. The problem of entropy and end effects in the Peyard – Bishop – Dauxois model

The problem of finding the optimal combination of parameters of the Peyard – Bishop-Dauxois model is considered using one of the new reparametrizations proposed by N. Theodorakopoulos. The relationship between the parameters of the inter-site potential of the model and the entropy gain in large open regions of DNA is analyzed. The direct transfer of the properties of long DNAs to short chains is shown to be unacceptable due to different contributions of the loop entropy during melting. The erroneousness of taking into account the finite nature of stacking interactions “directly” through a radical change in the parameters of the inter-site potential of the Peyard – Bishop – Dauxois model is demonstrated.

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Publication Details

Journal
Mathematical Biology and Bioinformatics
Published
2025-09-01
DOI
https://doi.org/10.17537/2025.20.363
Primary Topic
DNA and Nucleic Acid Chemistry
Type
article
Field-Weighted Citation Impact
0.00
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Comment to “Melting of genomic DNA: Predictive modeling by nonlinear lattice dynamics”. The problem of entropy and end effects in the Peyard – Bishop – Dauxois model

A.S. Shigaev
Mathematical Biology and Bioinformatics
DNA and Nucleic Acid Chemistry
article

Comment to “Melting of genomic DNA: Predictive modeling by nonlinear lattice dynamics”. The problem of entropy and end effects in the Peyard – Bishop – Dauxois model

A.S. Shigaev
article en

Abstract

The problem of finding the optimal combination of parameters of the Peyard – Bishop-Dauxois model is considered using one of the new reparametrizations proposed by N. Theodorakopoulos. The relationship between the parameters of the inter-site potential of the model and the entropy gain in large open regions of DNA is analyzed. The direct transfer of the properties of long DNAs to short chains is shown to be unacceptable due to different contributions of the loop entropy during melting. The erroneousness of taking into account the finite nature of stacking interactions “directly” through a radical change in the parameters of the inter-site potential of the Peyard – Bishop – Dauxois model is demonstrated.

Mathematical Biology and BioinformaticsVol. 20(2)
Openalex Percentile: Top 79%
DNA and Nucleic Acid Chemistry
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