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

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

We describe an ultra-fast, multi-scale method for calculating charge transfer rates through the pi-stack of DNA using a simple charge hopping model in conjunction with the Marcus equation. The calculation of the parameters required as input to the Marcus equation, such as the electronic coupling and...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй
Үндсэн зохиолчид:	Reha, D, Barford, W, Harris, S
Формат:	Journal article
Хэл сонгох:	English
Хэвлэсэн:	2008

Ижил төстэй зүйлс

Stacking Effects on Anthraquinone/DNA Charge-Transfer Electronically Excited States
-н: Gustavo Cárdenas, зэрэг
Хэвлэсэн: (2020-12-01)

Programing the formation of DNA and PNA quadruplexes by pi-pi-stacking interactions.
-н: Saha, S, зэрэг
Хэвлэсэн: (2010)

Controllable charge transfer via DNA molecules
-н: Liu, Yuanjun
Хэвлэсэн: (2015)

Charge transfer in DNA : from mechanism to application /
-н: Wagenknecht, Hans-Achim
Хэвлэсэн: (2005)

Energy Transfer in Single-Stranded DNA-Templated Stacks of Naphthalene Chromophores
-н: Stevens, A, зэрэг
Хэвлэсэн: (2011)

DNA-Mediated Stack Formation of Nanodiscs
-н: Madhumalar Subramanian, зэрэг
Хэвлэсэн: (2021-03-01)

Enhanced H-bonding and pi-stacking in DNA: a potent duplex-stabilizing and mismatch sensing nucleobase analogue
-н: Lou, C, зэрэг
Хэвлэсэн: (2014)

Realistic model of charge mobility in pi-conjugated polymer systems
-н: Berencei, L, зэрэг
Хэвлэсэн: (2019)

The role of loop stacking in the dynamics of DNA hairpin formation.
-н: Mosayebi, M, зэрэг
Хэвлэсэн: (2014)

Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States
-н: Haritha Asha, зэрэг
Хэвлэсэн: (2021-08-01)

Match probability calculations for multi-locus DNA profiles.
-н: Donnelly, P
Хэвлэсэн: (1995)

Quantum Well Model for Charge Transfer in Aperiodic DNA and Superlattice Sequences
-н: Alan Tai
Хэвлэсэн: (2024-08-01)

Symmetry Breaking Charge Transfer in DNA-Templated Perylene Dimer Aggregates
-н: Katelyn M. Duncan, зэрэг
Хэвлэсэн: (2022-10-01)

Mixed algorithm for modeling of charge transfer in DNA on long time intervals
-н: Nadejda S. Fialko
Хэвлэсэн: (2010-03-01)

StackDPP: a stacking ensemble based DNA-binding protein prediction model
-н: Sheikh Hasib Ahmed, зэрэг
Хэвлэсэн: (2024-03-01)

Insights into the control of optoelectronic properties in mixed-stacking charge-transfer complexes
-н: Wang, Zongrui, зэрэг
Хэвлэсэн: (2021)

A model for sample stacking in microcapillary DNA electrophoresis
-н: Srivastava, Alok Kumar, 1967-
Хэвлэсэн: (2006)

Unraveling the charge transfer variation of tetrathiafulvalene-based organic crystals through fragment charge difference calculation
-н: Yakui Mu, зэрэг
Хэвлэсэн: (2023-03-01)

The 2Ih and <sup>OXO</sup>G Proximity Consequences on Charge Transfer through <i>ds</i>-DNA: Theoretical Studies of Clustered DNA Damage
-н: Boleslaw T. Karwowski
Хэвлэсэн: (2023-02-01)

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings
-н: Pavanello, Michele, зэрэг
Хэвлэсэн: (2013)

A Variational Estimate of the Binding Energy of Charge-Transfer Excitons in the Cuprate Superconductors.
-н: Vermeulen, C, зэрэг
Хэвлэсэн: (1995)

The Dynamics of Hole Transfer in DNA
-н: Andrea Peluso, зэрэг
Хэвлэсэн: (2019-11-01)

Synthesis, spectroscopic characterization, DNA binding and DFT/PCM calculations of new Hydrogen-bonded charge transfer complex between 4-dimethylaminopyridine and Chloranilic acid
-н: Vudutha Sundarpal, зэрэг
Хэвлэсэн: (2023-01-01)

Activating charge-transfer state formation in strongly-coupled dimers using DNA scaffolds
-н: Hart, Stephanie M, зэрэг
Хэвлэсэн: (2023)

The AT Interstrand Cross-Link: Structure, Electronic Properties, and Influence on Charge Transfer in dsDNA
-н: Boleslaw T. Karwowski
Хэвлэсэн: (2018-12-01)

Model for Rating a Vanadium Redox Flow Battery Stack through Constant Power Charge–Discharge Characterization
-н: Pavan Kumar Vudisi, зэрэг
Хэвлэсэн: (2022-08-01)

Short-Range Charge Transfer in DNA Base Triplets: Real-Time Tracking of Coherent Fluctuation Electron Transfer
-н: Lixia Zhu, зэрэг
Хэвлэсэн: (2023-09-01)

Approaches to formation and calculation of airport charges’ rates
-н: V. A. Gubenk, зэрэг
Хэвлэсэн: (2017-08-01)

The wireless DNA transfer /
-н: Kumara Velu, 1961-
Хэвлэсэн: (c201)

Low bias charge transport in DNA
-н: Maciej Wiesner, зэрэг
Хэвлэсэн: (2024-09-01)

Unraveling the Effect of Stacking Configurations on Charge Transfer in WS2 and Organic Semiconductor Heterojunctions
-н: Shuchen Zhang, зэрэг
Хэвлэсэн: (2023-06-01)

Charge Transfer Excitons and Possible Exitonic Pairing in the Extended Three Band Hubbard Model
-н: Vermeulen, C, зэрэг
Хэвлэсэн: (1995)

Robustness of DNA repair through collective rate control.
-н: Paul Verbruggen, зэрэг
Хэвлэсэн: (2014-01-01)

6mA-StackingCV: an improved stacking ensemble model for predicting DNA N6-methyladenine site
-н: Guohua Huang, зэрэг
Хэвлэсэн: (2023-11-01)

Rate constant calculations on the N(S-4)+OH((2)Pi) reaction
-н: Edvardsson, D, зэрэг
Хэвлэсэн: (2006)

Origin of the intermolecular forces that produce donor–acceptor stacks in π-conjugated charge-transfer complexes
-н: Seiji Tsuzuki, зэрэг
Хэвлэсэн: (2024-11-01)

Electric Field of DNA in Solution: Who Is in Charge?
-н: Jonathan G. Hedley, зэрэг
Хэвлэсэн: (2024-09-01)

Organellar electrophysiology: DNA nanodevices charging at the unmeasured
-н: Senthil Arumugam
Хэвлэсэн: (2024-01-01)

Charge transfer through single molecule contacts: How reliable are rate descriptions?
-н: Denis Kast, зэрэг
Хэвлэсэн: (2011-08-01)

Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases
-н: Alessandro Nicola Nardi, зэрэг
Хэвлэсэн: (2022-11-01)