African Centre for Advanced Studies, Yaounde, Cameroon.
Biopolymers. 2020 Mar;111(3):e23346. doi: 10.1002/bip.23346. Epub 2019 Dec 24.
Modeling energy and charge transfer in DNA has been a challenging issue because of many conformations DNA can take. Due to its simplicity, we propose a discrete variational approach to study the charge transfer mechanism in DNA based on the Holstein-Su-Schrieffer-Heeger model. It is shown that bright solitary waves may propagate through the DNA and the variational approximation provides explicit relations between experimental parameters and important characteristics of the waves such as amplitude, width, chirp and homogenous phase, and energy. Our analytical predictions are confirmed by intensive numerical simulations with a good accuracy.
对 DNA 中的能量和电荷转移进行建模一直是一个具有挑战性的问题,因为 DNA 可以采取许多构象。由于其简单性,我们提出了一种离散变分方法,基于 Holstein-Su-Schrieffer-Heeger 模型来研究 DNA 中的电荷转移机制。结果表明,亮孤子波可能在 DNA 中传播,变分近似提供了实验参数与波的重要特征(如振幅、宽度、啁啾和同相以及能量)之间的显式关系。我们的分析预测得到了与数值模拟的良好一致性验证。