Computational model of hole transport in DNA

Volobuyev M; Adamowicz L

首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Computational model of hole transport in DNA

【24h】

Computational model of hole transport in DNA

机译：DNA中空穴传输的计算模型

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

A computational model based on the molecular dynamics (MD) simulation for the hole transport in DNA has been developed and applied to study hole current in DNA strands consisting of different numbers of GC pairs. The approach is based on the hopping mechanism which is thermally activated. The calculations show that the hole hopping intensifies with the temperature and the transport rate increases in agreement with the experimental evidence. It is also determined that the degree of structural ordering in the DNA strand enhances the hole conductivity and reasons are provided why this may occur.

机译：已经开发了基于分子动力学（MD）模拟的DNA空穴传输计算模型，并将其用于研究由不同数量的GC对组成的DNA链中的空穴电流。该方法基于热激活的跳跃机制。计算结果表明，空穴跳变随着温度的升高而增加，并且传输速率与实验证据相符。还确定了DNA链中结构有序的程度增强了空穴电导率，并提供了可能发生这种现象的原因。

著录项

来源
《The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical》 |2005年第2期|共7页
作者
Volobuyev M; Adamowicz L;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词
CHARGE-TRANSPORT; ELECTRON-TRANSFER; MOLECULES; DYNAMICS; ANIONS; RANGE; DIMER;

机译：电荷传输;电子传输;分子;动力学;阴离子;范围;二聚体;

相似文献

外文文献
中文文献
专利

1. Computational model of hole transport in DNA [J] . Volobuyev M, Adamowicz L The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2005,第2期

机译：DNA中空穴传输的计算模型
2. Computation and Spectroelectrochemistry as Complementary Tools for the Study of Electrochemically Induced Charged Defects in 4-[Bis(4-methylphenyl)amino]phenyl Oligothiophenes as Model Systems for Hole-Transporting Materials [J] . J. Casado, M. C. Ruiz Delgado, Y. Shirota, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2003,第12期

机译：计算和光谱电化学是研究4- [双（4-甲基苯基）氨基]苯基低聚噻吩作为空穴传输材料模型系统的电化学诱导带电缺陷的辅助工具
3. Theoretical modeling of DNA electron hole transport through polypyrimidine sequences: a QM/MM study [J] . Wozniak Aleksander P., Les Andrzej, Adamowicz Ludwik Journal of molecular modeling . 2019,第4期

机译：通过聚吡啶胺序列的DNA电子空穴传输理论建模：QM / MM研究
4. Measurement and Modeling of Hole Transport in Blends of N,N'-diphenyI-N,N'-bis(1-naphthyl)-1,1'-biphenyl-4,4'-diamine (NPB) and the Hole-Conducting Material HIM [C] . Christoph Zimmermann, Manuel Bosing, Florian Lindla Materials Research Society Symposium . 2010

机译：N，N'-Diphenyi-n，N'-Bis（1-萘基）-1,1'-联苯-4,4'-二胺（NPB）和空穴导电材料的共混物中空穴传输的测量和建模他
5. Computational Methods in Machine Learning: Transport Model, Haar Wavelet, DNA Classification, and MRI [D] . Njeunje, Franck Olivier Ndjakou. 2018

机译：机器学习中的计算方法：运输模型，Haar小波，DNA分类和MRI
6. An In Silico Approach for Assessment of the Membrane Transporter Activities of Phenols: A Case Study Based on Computational Models of Transport Activity for the Transporter Bilitranslocase [O] . Katja Venko, Marjana Novič 2019

机译：评估酚类膜转运蛋白活性的计算机模拟方法：基于转运蛋白胆汁转移酶转运活性计算模型的案例研究
7. Computational Model of Hole Transport in DNA [O] . -1

机译：DNA孔输送的计算模型
8. Quantifying Uncertainty in Long-Range-Transport Models: A Summary of the AMS (American Meteorological Society) Workshop on Sources and Evaluation of Uncertainty in Long-Range-Transport Models, Woods Hole, Massachusetts, 18-21 September 1984 [R] . Demerjian, K. L. 1985

机译：量化远程传输模型中的不确定性：ams（美国气象学会）关于远程传输模型中不确定性来源和评估的研讨会摘要，1984年9月18日至21日，马萨诸塞州伍兹霍尔

Computational model of hole transport in DNA

摘要

著录项

相似文献

相关主题

期刊订阅