Page - 123 - in Charge Transport in DNA - Insights from Simulations
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B.5DistanceofChargedAtomGroups fromtheHelicalAxis
Na+ Phosphate
AA Full 1.491 1.021
Dry1 0.999 0.980
Dry2 0.883 0.892
AG Full 1.448 1.047
Dry1 0.962 1.000
Dry2 0.785 0.892
AT Full 1.513 1.069
Dry1 1.017 1.022
Dry2 0.912 0.947
GG Full 1.468 1.142
Dry1 0.940 1.025
Dry2 0.799 0.910
GC Full 1.423 1.007
Dry1 0.929 0.896
Dry2 0.841 0.817
GT Full 1.454 1.048
Dry1 0.968 1.012
Dry2 0.811 0.893
123
B.5 Distance ofChargedAtomGroups
from theHelicalAxis
TableB.9: Distance (in nm) of phosphate groups in theDNAbackbones and ofNa+
counterions fromthehelical axis ofDNA, in simulations ofDNAindiffer-
ent environments.
Charge Transport in DNA
Insights from Simulations
- Title
- Charge Transport in DNA
- Subtitle
- Insights from Simulations
- Author
- Mario Wolter
- Publisher
- KIT Scientific Publishing
- Date
- 2013
- Language
- English
- License
- CC BY-SA 3.0
- ISBN
- 978-3-7315-0082-7
- Size
- 17.0 x 24.0 cm
- Pages
- 156
- Keywords
- Charge Transport, Charge Transfer, DNA, Molecular Dynamics, Quantum Mechanics
- Categories
- Naturwissenschaften Chemie
Table of contents
- Zusammenfassung 1
- Summary 3
- 1 Introduction 5
- 2 TheoreticalBackground 11
- 3 SimulationSetup 39
- 4 DNAUnderExperimentalConditions 49
- 5 ChargeTransport inStretchedDNA 69
- 6 ChargeTransport inMicrohydratedDNA 79
- 7 AParametrizedModel toSimulateCT inDNA 89
- 8 Conclusion 105
- Appendix 111
- A DNAUnderExperimentalConditions 111
- B CTinMicrohydratedDNA 117
- List ofPublications 137