| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1680091 | Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms | 2015 | 4 Pages |
Abstract
Modern REAX potentials allow to use molecular dynamics simulation to study bond breaking and reformation in biomolecules. We use this technique to simulate the effects of a swift-ion track on a B-DNA fragment in water. We monitor the number of single- and double-strand breaks as a function of the deposited energy. In addition we compare the results of direct DNA heating with the effect of hydrolysis which we model by heating only the water environment.
Related Topics
Physical Sciences and Engineering
Materials Science
Surfaces, Coatings and Films
Authors
Dominik Bottländer, Christian Mücksch, Herbert M. Urbassek,