Pathway Analysis on DNA Charge Transfer through Adenine and Guanine Bridges

2010 ◽  
Vol 114 (48) ◽  
pp. 20394-20400 ◽  
Author(s):  
Heeyoung Kim ◽  
One Choi ◽  
Eunji Sim
Keyword(s):  
Charge Transfer ◽  
Pathway Analysis ◽  
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

PATHWAY ANALYSIS ON ELECTRON TRANSFER IN RUTHENIUM MODIFIED CYTOCHROME c

2002 ◽  
Vol 01 (01) ◽  
pp. 93-107
Author(s):  
GUANHUA CHEN ◽  
CHUN KIT TSANG ◽  
GLENNA S. M. TONG
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Cytochrome C ◽  
Green’S Function ◽  
Pathway Analysis ◽  
Green's Function ◽  
Search Procedure ◽  
Single Charge

An efficient Green's function based search procedure is developed and applied to identify important charge transfer pathways in a cytochrome c and its derivatives. Compared to the existing methods, this procedure is much more efficient, and is complete in its search. Important residues are determined. However, no single charge transfer pathway is identified.

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>

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