Denaturation of DNA Double-Helix Characterized by Thermal Conductance

We deal with the thermal conductance and the denaturation of a three-dimensional DNA double helix based on the Peyrard-Bishop-Dauxois model by using non-equilibrium molecular dynamics simulations. It is reported that the thermal conductance of DNA has a substantial decrease near the denaturation whe...

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Bibliographic Details
Published inChinese physics letters Vol. 31; no. 8; pp. 174 - 177
Main Author 杨明明 钟伟荣
Format Journal Article
LanguageEnglish
Published 01.08.2014
Subjects
Computer simulation
Denaturation
Deoxyribonucleic acid
DNA双螺旋结构
Heat transfer
Molecular dynamics
Spectra
s模型
Thermal conductivity
Three dimensional models
分子动力学模拟
变性
声子谱
热传导率
特征
非平衡
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Summary:We deal with the thermal conductance and the denaturation of a three-dimensional DNA double helix based on the Peyrard-Bishop-Dauxois model by using non-equilibrium molecular dynamics simulations. It is reported that the thermal conductance of DNA has a substantial decrease near the denaturation where the DNA double helix separates into two single chains. We explain this phenomenon through the phonon spectra at different temperatures. It is suggested that the denaturation of DNA can also be characterized by the change of the thermal conductance.
Bibliography:11-1959/O4
We deal with the thermal conductance and the denaturation of a three-dimensional DNA double helix based on the Peyrard-Bishop-Dauxois model by using non-equilibrium molecular dynamics simulations. It is reported that the thermal conductance of DNA has a substantial decrease near the denaturation where the DNA double helix separates into two single chains. We explain this phenomenon through the phonon spectra at different temperatures. It is suggested that the denaturation of DNA can also be characterized by the change of the thermal conductance.
YANG Ming-Ming, ZHONG Wei-Rong（ Department of Physics and Siyuan Laboratory, College of Science and Engineering, Jinan University, Guangzhou 510632）
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/31/8/088702