Changes in microenvironment modulate the B-to A-DNA transition
B-to A-DNA transition is known to be sensitive to the macroscopic properties of the solution,
such as salt and ethanol concentrations. Microenvironmental effects on DNA conformational …
such as salt and ethanol concentrations. Microenvironmental effects on DNA conformational …
Computational investigation of the conformation transitions of DNA in modified water models
MR Li, N Zhang, FS Zhang - Journal of Molecular Liquids, 2018 - Elsevier
Modified water models with different bond length are used to investigate solvent activity
effects on DNA structure. The dodecamer d (CGCGAATTCGCG) DNA segment is merged …
effects on DNA structure. The dodecamer d (CGCGAATTCGCG) DNA segment is merged …
Sequence dependent free energy profiles of localized B-to A-form transition of DNA in water
M Kulkarni, A Mukherjee - The Journal of Chemical Physics, 2013 - pubs.aip.org
DNA carries an inherent polymorphism, which surfaces under various external conditions.
While B-form remains predominant under normal physiological conditions for most of the …
While B-form remains predominant under normal physiological conditions for most of the …
Solvent-induced DNA conformational transition
B Gu, FS Zhang, ZP Wang, HY Zhou - Physical review letters, 2008 - APS
Modified water models with scaled charges are used to investigate solvent polarity effects on
DNA structure. Several intensive molecular dynamics simulations of the DNA EcoRI …
DNA structure. Several intensive molecular dynamics simulations of the DNA EcoRI …
Free-energy profiles for A-/B-DNA conformational transitions in isolated and aggregated states from all-atom molecular dynamics simulation
CT Lai, GC Schatz - The Journal of Physical Chemistry B, 2018 - ACS Publications
In ordinary aqueous solution, B-DNA is the major structural form of DNA. After the addition of
ethanol, DNA is thought to be aggregated/condensed in the A-form structure. However, there …
ethanol, DNA is thought to be aggregated/condensed in the A-form structure. However, there …
Molecular dynamics simulation of the A-DNA to B-DNA transition in aqueous RbCl solution
YX Yu, S Fujimoto - Science China Chemistry, 2013 - Springer
Unrestrained molecular dynamics (MD) simulations have been carried out to characterize
the stability of DNA conformations and the dynamics of A-DNA→ B-DNA conformational …
the stability of DNA conformations and the dynamics of A-DNA→ B-DNA conformational …
The electrostatic contribution to the B to Z transition of DNA
In this paper, the finite difference nonlinear Poisson− Boltzmann (NLPB) equation is used to
calculate the electrostatic contribution to the B to Z transition of DNA using detailed …
calculate the electrostatic contribution to the B to Z transition of DNA using detailed …
Polymorphism and Flexibility of DNA in Alcohols
N Zhang, MR Li, HT Xu, FS Zhang - Chinese Physics Letters, 2020 - iopscience.iop.org
Molecular dynamics simulations are performed to investigate the polymorphism and
flexibility of DNA in water, ethylene glycol (EG) and ethanol (EA) solutions. DNA in EG …
flexibility of DNA in water, ethylene glycol (EG) and ethanol (EA) solutions. DNA in EG …
Effect of electrolyte concentration on DNA A–B conformational transition: An unrestrained molecular dynamics simulation study
S Fujimoto, Y Yang-Xin - Chinese Physics B, 2010 - iopscience.iop.org
The DNA conformational transition depends on both the DNA sequences and environment
such as solvent as well as electrolyte in the solution. This paper uses the AMBER8 package …
such as solvent as well as electrolyte in the solution. This paper uses the AMBER8 package …
A-to B-DNA transition in AMBER force fields and its coupling to sugar pucker
M Zgarbová, P Jurecka, J Sponer… - Journal of Chemical …, 2018 - ACS Publications
The A/B transition is a basic element of DNA conformational change. Because of its
involvement in the sensing of the ionic conditions by DNA and in specific protein–DNA …
involvement in the sensing of the ionic conditions by DNA and in specific protein–DNA …