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- ISSN: 1877-9468
- E-ISSN: 1877-9476
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High Temperature Unfolding Simulations of a Single-stranded DNA i-Motif
- Source: Current Physical Chemistry, Volume 2, Issue 1, Jan 2012, p. 115 - 123
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- 01 Jan 2012
Abstract
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.
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