The open archive for STFC research publications

Full Record Details

Persistent URL http://purl.org/net/epubs/work/12206622
Record Status Checked
Record Id 12206622
Title HPC Programming to Generate Electron-molecule Resonance Data for DNA Radiation Damage Studies.
Abstract DNA oxidative damage has long been associated with the development of a variety of cancers including colon, breast and prostate, whilst RNA damage has been implicated in a variety of neurological diseases, such as Alzheimer’s disease and Parkinson’s disease. Radiation damage arises when energy is deposited in cells by ionizing radiation, which in turn leads to strand breaks in DNA. The strand breaks are associated with electrons trapped in quasi-bound ‘resonances’ on the basic components of the DNA. HPC usage will enable the study of this resonance formation in much more detail than in current initial calculations. The associated application is UKRmol [1], a widely used, general-purpose electron-molecule collision package and the enabling aim is to replace a serial propagator (coupled PDE solver) with a parallel equivalent module.
Funding Information
Related Research Object(s):
Licence Information:
Language English (EN)
Type Details URI(s) Local file(s) Year
Report PRACE White Paper: Application Scalability WP174. http://www.prace-ri.eu/Application-scalability: PRACE, 2014. https://prace-ri.…nt/uploads/wp174.pdf 2014