High Temperature Unfolding Simulations of a Single-stranded DNA i-Motif

Author(s): Jens Smiatek, Dongsheng Liu, Andreas Heuer

Journal Name: Current Physical Chemistry

Volume 2 , Issue 1 , 2012

Become EABM
Become Reviewer
Call for Editor


We present the results of high temperature 500 K Molecular Dynamics simulations of a single-stranded DNA i-motif. The unfolding pathways are compared to a biased metadynamics simulation at 300 K. Our results indicate a remarkable agreement between the trajectories. We found that the unfolding process can be described by two main mechanisms with a small number of eigenvectors.

Keywords: DNA i-motif, Molecular Dynamics, Metadynamics, High temperature unfolding, trajectories, eigenvectors, square deviation, applied methods, Nose-Hoover, equilibrium

open access plus

Rights & PermissionsPrintExport Cite as

Article Details

Year: 2012
Page: [115 - 123]
Pages: 9
DOI: 10.2174/1877946811202010115

Article Metrics

PDF: 15