Paper Citing NAMD - Abstract
Surdutovich, E.; Yakubovich, A. V.; Solov'yov, A. V.
Multiscale approach to radiation damage induced by ion beams: complex DNA damage and effects of thermal spikes
EUROPEAN PHYSICAL JOURNAL D, 60:101-108, OCT 2010
We present the latest advances of the multiscale approach to radiation damage caused by irradiation of a tissue with energetic ions and report the calculations of complex DNA damage and the effects of thermal spikes on biomolecules. The multiscale approach aims to quantify the most important physical, chemical, and biological phenomena taking place during and following irradiation with ions and provide a better means for clinically-necessary calculations with adequate accuracy. We suggest a way of quantifying the complex clustered damage, one of the most important features of the radiation damage caused by ions. This quantification allows the studying of how the clusterization of DNA lesions affects the lethality of damage. We discuss the first results of molecular dynamics simulations of ubiquitin in the environment of thermal spikes, predicted to occur in tissue for a short time after an ion's passage in the vicinity of the ions' tracks.
