Electron transfer in DNA

AbstractDuring the last two decades, electron transfer (ET) through DNA and its artificial analogues has been an area of extensive experimental and theoretical studies. This process plays an important role in biology (damage and repair of DNA in living cells) and is of potential interest in material sciences. Because structural dynamics of the π stack and its environment affect essentially the electron transport, some significant details of excess charge migration cannot be derived from experiments. Computer simulations of the ET process provide microscopic insights into mechanisms of this process. In the paper, we consider computational methods used to describe the propagation of excess charges through π stacks of DNA and related systems. © 2012 John Wiley & Sons, Ltd.This article is categorized under:

Molecular and Statistical Mechanics > Molecular Dynamics and Monte-Carlo Methods