Applications of biomaterials to liquid crystals

K Iwabata, U Sugai, Y Seki, H Furue, K Sakaguchi - Molecules, 2013 - mdpi.com
Nowadays, chemically synthesized proteins and peptides are attractive building blocks and
have potential in many important applications as biomaterials. In this review, applications of …

Electrical conductance in biological molecules

M Waleed Shinwari, M Jamal Deen… - Advanced Functional …, 2010 - Wiley Online Library
Nucleic acids and proteins are not only biologically important polymers. They have recently
been recognized as novel functional materials surpassing conventional materials in many …

Electronic couplings and on-site energies for hole transfer in DNA: Systematic quantum mechanical/molecular dynamic study

AA Voityuk - The Journal of chemical physics, 2008 - pubs.aip.org
The electron hole transfer (HT) properties of DNA are substantially affected by thermal
fluctuations of the π stack structure. Depending on the mutual position of neighboring …

Predicting the DNA conductance using a deep feedforward neural network model

A Aggarwal, V Vinayak, S Bag… - Journal of Chemical …, 2020 - ACS Publications
Double-stranded DNA (dsDNA) has been established as an efficient medium for charge
migration, bringing it to the forefront of the field of molecular electronics and biological …

Computational modeling of photoexcitation in DNA single and double strands

Y Lu, Z Lan, W Thiel - Photoinduced Phenomena in Nucleic Acids II: DNA …, 2015 - Springer
The photoexcitation of DNA strands triggers extremely complex photoinduced processes,
which cannot be understood solely on the basis of the behavior of the nucleobase building …

Probing charge transport in oxidatively damaged DNA sequences under the influence of structural fluctuations

MH Lee, G Brancolini, R Gutiérrez… - The Journal of …, 2012 - ACS Publications
We present a detailed study of the charge transport characteristics of double-stranded DNA
oligomers including the oxidative damage 7, 8-dihydro-8-oxoguanine (8-oxoG). The …

A multi-scale method for the calculation of charge transfer rates through the Π-stack of DNA: application to DNA dynamics

D Řeha, W Barford, S Harris - Physical Chemistry Chemical Physics, 2008 - pubs.rsc.org
We describe an ultra-fast, multi-scale method for calculating charge transfer rates through
the π-stack of DNA using a simple charge hopping model in conjunction with the Marcus …

A combined DFT/Green's function study on electrical conductivity through DNA duplex between Au electrodes

T Tsukamoto, Y Ishikawa, Y Sengoku, N Kurita - Chemical physics letters, 2009 - Elsevier
Electrical conducting properties of DNA duplexes sandwiched between Au electrodes have
been investigated by use of first-principles molecular simulation based on DFT and Green's …

Quantum diffusion in polaron model of poly (dG)-poly (dC) and poly (dA)-poly (dT) DNA polymers

H Yamada, EB Starikov, D Hennig - The European Physical Journal B, 2007 - Springer
We numerically investigate quantum diffusion of an electron in a model of poly (dG)-poly
(dC) and poly (dA)-poly (dT) DNA polymers with fluctuation of the parameters due to the …

Single-molecule DNA conductance in water solutions: Role of DNA low-frequency dynamics

EB Starikov, A Quintilla, C Nganou, KH Lee… - Chemical Physics …, 2009 - Elsevier
Dependence of charge transmission through several experimentally studied DNA duplexes
on their lowest-frequency acoustic modes, combined with the molecular dynamics in …