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First principle calculations of charge transfer in DNA molecules are computationally expensive given that charge carriers migrate in interaction with intra- and inter-molecular atomic motion. Screening sequences, e.g. to identify excellent…

Mesoscale and Nanoscale Physics · Physics 2020-12-04 Roman Korol , Dvira Segal

Charge transfer can take place along double helical DNA over distances as long as 30 nanometers. However, given the active role of the thermal environment surrounding charge carriers in DNA, physical mechanisms driving the transfer process…

Mesoscale and Nanoscale Physics · Physics 2020-12-04 Roman Korol , Dvira Segal

The electrical conduction properties of G4-DNA are investigated using a hybrid approach, which combines electronic structure calculations, molecular dynamics (MD) simulations, and the formulation of an effective tight-binding model…

In this study, we compare the charge transport properties of multiple (double stranded) dsRNA sequences with corresponding dsDNA sequences. Recent studies have presented a contradictory picture of relative charge transport efficiencies in…

Soft Condensed Matter · Physics 2020-08-31 Abhishek Aggarwal , Saientan Bag , Ravindra Venkatramani , Manish Jain , Prabal K. Maiti

Charge transfer in a DNA duplex chain is studied by constructing a system with virtual electrodes connected at the ends of each DNA strand. The systeym is described by the tight-binding model and its transport is analyzed by the transfer…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 X. F. Wang , Tapash Chakraborty

Deoxyribonucleic acid (DNA) has shown great promise in enabling computational applications, most notably in the fields of DNA digital data storage and DNA computing. Information is encoded as DNA strands, which will naturally bind in…

Machine Learning · Computer Science 2021-10-22 David Buterez

Recent works on localized charge transport along DNA, based on a three--dimensional, tight--binding model (Eur. Phys. J. B 30:211, 2002; Phys. D 180:256, 2003), suggest that charge transport is mediated by the coupling of the radial and…

Pattern Formation and Solitons · Physics 2007-05-23 F. Palmero , J. F. R. Archilla , D. Hennig , F. R. Romero

Quantum transport for DNA conduction has widely studied with interest in application as a candidate in making nanowires as well as interest in the scientific mechanism. In this paper, we review recent works with concerning the electronic…

Disordered Systems and Neural Networks · Physics 2015-03-13 Hiroaki Yamada , Kazumoto Iguchi

Charge migration along DNA molecules has attracted scientific interest for over half a century. Reports on possible high rates of charge transfer between donor and acceptor through the DNA, obtained in the last decade from solution…

Materials Science · Physics 2009-11-10 Danny Porath , Gianaurelio Cuniberti , Rosa Di Felice

DNA is a leading candidate as the next archival storage media due to its density, durability and sustainability. To read (and write) data DNA storage exploits technology that has been developed over decades to sequence naturally occurring…

Emerging Technologies · Computer Science 2022-05-12 Jasmine Quah , Omer Sella , Thomas Heinis

We report spin-selective tunneling of electrons along natural and artificial double-stranded DNA (dsDNA) sandwiched by nonmagnetic leads. The results reveal that the spin polarization strongly depends on the dsDNA sequence and is dominated…

Soft Condensed Matter · Physics 2015-06-11 Ai-Min Guo , Qing-feng Sun

We study the electronic properties of DNA by way of a tight-binding model applied to four particular DNA sequences. The charge transfer properties are presented in terms of localisation lengths, crudely speaking the length over which…

Genomics · Quantitative Biology 2007-05-23 Daphne Klotsa , Rudolf A. Roemer , Matthew S. Turner

Double-strand DNA breaks (DSBs) are a form of DNA damage that can cause abnormal chromosomal rearrangements. Recent technologies based on high-throughput experiments have obvious high costs and technical challenges.Therefore, we design a…

Quantitative Methods · Quantitative Biology 2022-01-07 XU Wang , Huan Zhao , Weiwei TU , Hao Li , Yu Sun , Xiaochen Bo

This paper aims at a comprehensive understanding on the novel elastic property of double-stranded DNA (dsDNA) discovered very recently through single-molecule manipulation techniques. A general elastic model for double-stranded biopolymers…

Soft Condensed Matter · Physics 2009-10-31 Haijun Zhou , Yang Zhang , Zhong-can Ou-Yang

In this letter, we study the structure-transport property relationships of small ligand intercalated DNA molecules using a multiscale modelling approach where extensive ab-initio calculations are performed on numerous MD-simulated…

An 1d model with time-dependent random hopping is proposed to describe charge transport in DNA. It admits to investigate both diffusion of electrons and their tunneling between different sites in DNA. The tunneling appears to be strongly…

Soft Condensed Matter · Physics 2009-11-07 E. I. Kats , V. V. Lebedev

The influence of decoherence and bonding on the linear conductance of single double-stranded DNA molecules is examined by fitting a phenomenological statistical model developed recently (EPJB {\bf 68}, 237 (2009)) to experimental results.…

Soft Condensed Matter · Physics 2010-09-30 M. Zilly , O. Ujsaghy , D. E. Wolf

Measurements of electron transfer rates as well as of charge transport characteristics in DNA produced a number of seemingly contradictory results, ranging from insulating behaviour to the suggestion that DNA is an efficient medium for…

Soft Condensed Matter · Physics 2007-05-23 R. Bulla , R. Gutierrez , G. Cuniberti

The folding structure of the DNA molecule combined with helper molecules, also referred to as the chromatin, is highly relevant for the functional properties of DNA. The chromatin structure is largely determined by the underlying primary…

Machine Learning · Computer Science 2018-06-14 Bojian Yin , Marleen Balvert , Davide Zambrano , Alexander Schönhuth , Sander Bohte

DNAs charge transfer and self-assembly characteristics have made it a hallmark of molecular electronics for the past two decades. A fast and efficient charge transfer mechanism with programmable properties using DNA nanostructures is…

Materials Science · Physics 2023-07-05 Busra Demir , Hashem Mohammad , M. P. Anantram , Ersin Emre Oren
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