DNA Charge Transfer in an External Field:  An Atomistic Approach

2007 ◽  
Vol 111 (22) ◽  
pp. 8105-8110 ◽  
Author(s):  
Tobias Cramer ◽  
Sebastian Krapf ◽  
Thorsten Koslowski
Keyword(s):  
Charge Transfer ◽  
External Field ◽  
Dna Charge Transfer

Electrochemical study of thymine dimer based on DNA charge transfer

2011 ◽  
Vol 66 (7) ◽  
pp. 642-645
Author(s):  
Zhenyu Chen ◽  
Yuexing Liu ◽  
Nandi Zhou ◽  
Qiao Zhang ◽  
Kun Han
Keyword(s):  
Charge Transfer ◽  
Electrochemical Study ◽  
Thymine Dimer ◽  
Dna Charge Transfer

Static and dynamic aspects of DNA charge transfer: a theoretical perspective

2005 ◽  
Vol 7 (24) ◽  
pp. 4039 ◽  
Author(s):  
Tobias Cramer ◽  
Thomas Steinbrecher ◽  
Andreas Labahn ◽  
Thorsten Koslowski
Keyword(s):  
Charge Transfer ◽  
Theoretical Perspective ◽  
Dna Charge Transfer

Theory and Simulation of DNA Charge Transfer:  From Junctions to Networks

2004 ◽  
Vol 108 (42) ◽  
pp. 16586-16592 ◽  
Author(s):  
Tobias Cramer ◽  
Antonio Volta ◽  
Alexander Blumen ◽  
Thorsten Koslowski
Keyword(s):  
Charge Transfer ◽  
Dna Charge Transfer

DNA Charge Transfer:  An Atomistic Model

2004 ◽  
Vol 108 (31) ◽  
pp. 11812-11819 ◽  
Author(s):  
Tobias Cramer ◽  
Sebastian Krapf ◽  
Thorsten Koslowski
Keyword(s):  
Charge Transfer ◽  
Atomistic Model ◽  
Dna Charge Transfer

Long-range Stacking Effects of Nucleobases in Charge Transfer

2020 ◽  
Author(s):  
Zhongwei Li ◽  
Keli Han
Keyword(s):  
Charge Transfer ◽  
Long Range ◽  
Driving Force ◽  
Short Distance ◽  
Squeezing Effect ◽  
Base Pairs ◽  
Long Distance ◽  
Dna Charge Transfer ◽  
Stacking Effect ◽  
Dynamics Simulations

Base-stacked structure is an important feature of DNA molecules. Previous studies on the stacking effect concerning DNA-mediated hole transfer have revealed the influence of neighboring bases on onsite energies. But the neighboring base effect acts only in a short-distance. Besides it, a long-range (longer than three base pairs) stacking effect called squeezing effect in this paper has not yet been reported. Such a squeezing effect causes the bases near the middle of a sequence consisting of same type base pairs have lower onsite energies than the bases near the terminals. We predict it by H ̈uckelanalysis in an unconventional way and confirmed it by semiempirical calculations combinated with molecular dynamics simulations. The results suggest that in order to obtain a reasonable onsite energy map when study charge transfer on DNA, the stacking effects should be considered in a long-distance as possible. The consideration of squeezing effect also provides a new suggestion on the driving force of fluctuation-assisted DNA charge transfer. The method used to calculate the onsite energies in abase stack can be generalized to other π-stacked systems.<br><br>

Sign in / Sign up

Export Citation Format

Share Document