Molecular dynamics simulation of nucleic acids

TE Cheatham III, PA Kollman - Annual review of physical …, 2000 - annualreviews.org
We review molecular dynamics simulations of nucleic acids, including those completed from
1995 to 2000, with a focus on the applications and results rather than the methods. After the …

The unique structure of A-tracts and intrinsic DNA bending

TE Haran, U Mohanty - Quarterly reviews of biophysics, 2009 - cambridge.org
Short runs of adenines are a ubiquitous DNA element in regulatory regions of many
organisms. When runs of 4–6 adenine base pairs ('A-tracts') are repeated with the helical …

[PDF][PDF] DNA and RNA in anhydrous media: Duplex, triplex, and G‐quadruplex secondary structures in a deep eutectic solvent

I Mamajanov, AE Engelhart, HD Bean… - Angewandte Chemie …, 2010 - researchgate.net
Room-temperature ionic liquids (RTILs) have generated tremendous interest as nonvolatile
media that provide favorable environments for a wide range of chemical reactions.[1] A …

1 Å crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium

TK Chiu, RE Dickerson - Journal of molecular biology, 2000 - Elsevier
The 1 Å resolution X-ray crystal structures of Mg2+ and Ca2+ salts of the B-DNA decamers
CCAACGTTGG and CCAGCGCTGG reveal sequence-specific binding of Mg2+ and Ca2+ to …

Crystal structure of a Flp recombinase–Holliday junction complex: assembly of an active oligomer by helix swapping

Y Chen, U Narendra, LE Iype, MM Cox, PA Rice - Molecular cell, 2000 - cell.com
The crystal structure of a Flp recombinase tetramer bound to a Holliday junction intermediate
has been determined at 2.65 Å resolution. Only one of Flp's two domains, containing the …

Localization of ammonium ions in the minor groove of DNA duplexes in solution and the origin of DNA A-tract bending

NV Hud, V Sklenář, J Feigon - Journal of molecular biology, 1999 - Elsevier
Monovalent cation binding sites on nucleic acids in solution can be localized using the
isotopically labeled ammonium ion (15NH4+) as a probe in high resolution NMR …

Overall structure and sugar dynamics of a DNA dodecamer from homo- and heteronuclear dipolar couplings and 31P chemical shift anisotropy

Z Wu, F Delaglio, N Tjandra, VB Zhurkin… - Journal of biomolecular …, 2003 - Springer
The solution structure of d (CGCGAATTCGCG) 2 has been determined on the basis of an
exceptionally large set of residual dipolar couplings. In addition to the heteronuclear 13 C-1 …

Solution structure of an A-tract DNA bend

D MacDonald, K Herbert, X Zhang, T Polgruto… - Journal of molecular …, 2001 - Elsevier
The solution structure of a DNA dodecamer d (GGCAAAAAACGG)/d (CCGTTTTTTGCC)
containing an A-tract has been determined by NMR spectroscopy with residual dipolar …

DNA bending by an adenine–thymine tract and its role in gene regulation

J Hizver, H Rozenberg, F Frolow… - Proceedings of the …, 2001 - National Acad Sciences
To gain insight into the structural basis of DNA bending by adenine–thymine tracts (A-tracts)
and their role in DNA recognition by gene-regulatory proteins, we have determined the …

What governs the charge transfer in DNA? The role of DNA conformation and environment

T Kubar, M Elstner - The Journal of Physical Chemistry B, 2008 - ACS Publications
Charge transfer in DNA has received much attention in the last few years due to its role in
oxidative damage and repair in DNA and also due to possible applications of DNA in …