Simulations of nucleic acids and their complexes
Recent years have seen considerable progress in simulations of nucleic acids.
Improvements in force fields, simulation techniques and protocols, and increasing computer …
Improvements in force fields, simulation techniques and protocols, and increasing computer …
The S. cerevisiae architectural HMGB protein NHP6A complexed with DNA: DNA and protein conformational changes upon binding
JE Masse, B Wong, YM Yen, FHT Allain… - Journal of molecular …, 2002 - Elsevier
NHP6A is a non-sequence-specific DNA-binding protein from Saccharomyces cerevisiae
which belongs to the HMGB protein family. Previously, we have solved the structure of …
which belongs to the HMGB protein family. Previously, we have solved the structure of …
Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair opening
Y Pan, AD MacKerell Jr - Nucleic acids research, 2003 - academic.oup.com
DNA and RNA are known to have different structural properties. In the present study,
molecular dynamics (MD) simulations on a series of RNA and DNA duplexes indicate …
molecular dynamics (MD) simulations on a series of RNA and DNA duplexes indicate …
Structural properties of polymeric DNA from molecular dynamics simulations
S Samanta, S Mukherjee, J Chakrabarti… - The Journal of …, 2009 - pubs.aip.org
Most of the reported DNA structural studies are based on oligonucleotide structures, which
have artifacts due to unstable terminal base pairs (bps). We have carried out molecular …
have artifacts due to unstable terminal base pairs (bps). We have carried out molecular …
RNAHelix: computational modeling of nucleic acid structures with Watson–Crick and non-canonical base pairs
D Bhattacharyya, S Halder, S Basu… - Journal of computer …, 2017 - Springer
Comprehensive analyses of structural features of non-canonical base pairs within a nucleic
acid double helix are limited by the availability of a small number of three dimensional …
acid double helix are limited by the availability of a small number of three dimensional …
Solution Structure of the Dodecamer d-(CATGGGCC-CATG)2 is B-DNA. Experimental and Molecular Dynamics Study
U Dornberger, N Spacková, A Walter… - Journal of …, 2001 - Taylor & Francis
The DNA duplex d-(CATGGGCCCATG) 2 has been studied in solution by FTIR, NMR and
CD. The experimental approaches have been complemented by series of large-scale …
CD. The experimental approaches have been complemented by series of large-scale …
Changes in thermodynamic properties of DNA base pairs in protein-DNA recognition
S Samanta, J Chakrabarti… - Journal of Biomolecular …, 2010 - Taylor & Francis
The mechanism of protein-DNA recognition, particularly the induced fit mechanism, is poorly
understood due to ineffective analysis of the protein-DNA complex crystal structures. It is …
understood due to ineffective analysis of the protein-DNA complex crystal structures. It is …
Effect of flanking residues on CA and AA dinucleotides: Some rationale
D Bandyopadhyay, D Bhattacharyya - Journal of Biomolecular …, 2002 - Taylor & Francis
Abstract Effect of flanking base pairs on CA and AA dinluceotide step-geometry has been
studied using molecular dynamics method. Sixteen dodecameric sequences are constructed …
studied using molecular dynamics method. Sixteen dodecameric sequences are constructed …
Interaction of DNA with groove binding ligands
MJ Broome - 2008 - wrap.warwick.ac.uk
Synthetic molecules that target the major groove in a sequence-selective way are a major
goal in molecular medicine. Recently a major step has been taken toward achieving this …
goal in molecular medicine. Recently a major step has been taken toward achieving this …
[图书][B] Use of carbon-13/nitrogen-15-labeled oligodeoxyribonucleotides in NMR studies of DNA and complexes with the HMGB protein NhP6A
JE Masse - 2002 - search.proquest.com
We have developed a procedure for the enzymatic synthesis of large quantities of
isotopically labeled oligodeoxyribonucleotides. This procedure is highly efficient, routinely …
isotopically labeled oligodeoxyribonucleotides. This procedure is highly efficient, routinely …