Crystal structures of A‐DNA duplexes

MC Wahl, M Sundaralingam - Biopolymers: Original Research …, 1997 - Wiley Online Library
All crystal structures of A‐DNA duplexes exhibit a typical crystal packing, with the termini of
one molecule abutting the shallow grooves of symmetry related neighbors, while all other …

RNA crystallography

SR Holbrook, SH Kim - Biopolymers: Original Research on …, 1997 - Wiley Online Library
The current state of three‐dimensional structure analysis of RNA by x‐ray crystallograpy is
summarized. The methods of sample preparation, crystallization, data collection, and …

Molecular dynamics simulations highlight the structural differences among DNA: DNA, RNA: RNA, and DNA: RNA hybrid duplexes

TE Cheatham, PA Kollman - Journal of the American Chemical …, 1997 - ACS Publications
Nanosecond length simulations applying the particle mesh Ewald method within AMBER 4.1
on canonical A-form and B-form geometries of d [CCAACGTTGG] 2, r [CCAACGUUGG] 2 …

[HTML][HTML] Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. II: sequence context effects on the dynamical …

SB Dixit, DL Beveridge, DA Case, TE Cheatham… - Biophysical journal, 2005 - cell.com
Molecular dynamics (MD) simulations including water and counterions on B-DNA oligomers
containing all 136 unique tetranucleotide basepair steps are reported. The objective is to …

RNA Hydration:  A Detailed Look,

M Egli, S Portmann, N Usman - Biochemistry, 1996 - ACS Publications
The crystal structure of the RNA duplex [r (CCCCGGGG)] 2 has been refined to 1.46 Å
resolution with room temperature synchrotron diffraction data. This represents the highest …

Conformations of the sugar‐phosphate backbone in helical DNA crystal structures

B Schneider, S Neidle… - … : Original Research on …, 1997 - Wiley Online Library
The DNA backbone geometry was analyzed for 96 crystal structures of
oligodeoxynucleotides. The ranges and mean values of the torsion angles for the observed …

Propeller-twisting of base-pairs and the conformational mobility of dinucleotide steps in DNA

MA El Hassan, CR Calladine - Journal of molecular biology, 1996 - Elsevier
When DNA is bent around a protein, it must distort. The distortion occurs by changes in the
conformation of successive dinucleotide steps. Bending does not necessarily occur …

Conformational characteristics of DNA: empirical classifications and a hypothesis for the conformational behaviour of dinucleotide steps

MA El Hassan, CR Calladine - … Transactions of the …, 1997 - royalsocietypublishing.org
This paper is concerned with an investigation of the geometry and structure of DNA as
revealed by X–ray diffraction of single crystal oligomeric structures. A database of atomic …

Stacking energies in DNA

SG Delcourt, RD Blake - Journal of Biological Chemistry, 1991 - Elsevier
Variations in base mono-and dipoles result in variations in stacking energies for the 10
unique neighbor pairs in DNA. Stacking energies for pair M on N, expressed as TMN, were …

Molecular structure of the netropsin-d (CGCGATATCGCG) complex: DNA conformation in an alternating AT segment

M Coll, J Aymami, GA Van der Marel, JH Van Boom… - Biochemistry, 1989 - ACS Publications
Revised Manuscript Received August 18, 1988 abstract: The molecular structure of the
complex between a minor groove binding drug (netropsin) and the DNA dodecamer d …