Seite - 128 - in Charge Transport in DNA - Insights from Simulations
Bild der Seite - 128 -
Text der Seite - 128 -
BIBLIOGRAPHY
surements. Phys. Life Rev., 2010. 7, 3, 299 and comments following in the
same issue.
[33] K.M.Kosikov,A.A.Gorin,V.B.Zhurkin, andW.K.Olson. DNAstretching
andcompression: Large-scalesimulationsofdoublehelical structures. J.Mol.
Biol.,1999. 289,5,1301â1326.
[34] S. Piana. Structure and energy of a DNA dodecamer under tensile load.
NucleicAcidsRes.,2005. 33,22,7029â7038.
[35] R.Lohikoski, J.Timonen, andA.Laaksonen.Moleculardynamics simulation
of single DNA stretching reveals a novel structure. Chem. Phys. Lett., 2005.
407,1-3,23â29.
[36] D. R. Roe and A. M. Chaka. Structural basis of pathway-dependent force
proïŹles in stretchedDNA. J. Phys.Chem.B,2009. 113,46,15364â15371.
[37] J. RËezĂĄcË, P. Hobza, and S. A. Harris. Stretched DNA investigated using
molecular-dynamics andquantum-mechanical calculations. Biophys. J., 2010.
98,1,101â110.
[38] P.Maragakis, R. L. Barnett, E.Kaxiras,M. Elstner, andT. Frauenheim. Elec-
tronic structureof overstretchedDNA. Phys.Rev.B,2002. 66,24,241104.
[39] B. Song,M.Elstner, andG.Cuniberti. AnomalousConductanceResponseof
DNAWiresunderStretching. NanoLett.,2008. 8,10,3217â3220.
[40] M.A.OâNeill,H.-C.Becker,C.Z.Wan, J.K.Barton, andA.H.Zewail. Ultra-
fast dynamics inDNA-mediated electron transfer: Base gating and the role
of temperature. Angew.Chem. Int.Ed.,2003. 42,47,5896â5900.
[41] S. S. Skourtis, D.H.Waldeck, andD.N. Beratan. Fluctuations in Biological
and Bioinspired Electron-Transfer Reactions. Annu. Rev. Phys. Chem., 2010.
61,461â485.
[42] D.Q.Andrews,R.P.VanDuyne, andM.A.Ratner. Stochasticmodulation in
molecular electronic transport junctions: Molecular dynamics coupledwith
charge transport calculations. NanoLett.,2008. 8,4,1120â1126.
[43] R. Maul and W. Wenzel. InïŹuence of structural disorder and large-scale
128
Inhaltsverzeichnis
- 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