Molecular Energetics of Clustered Damage Sites in DNA
EMSL Project ID
3687
Abstract
The objective of this project is to use state-of-the-art computational chemistry models to obtain molecular insight and characterization of the structure, energetics, and spectroscopy of singly and multiply damaged (clustered) DNA sites. This research will provide a fundamental, quantitative, first-principles basis in DOE efforts to assess whether endogenous processes and ionizing radiation produce qualitatively and quantitatively different kinds of damage. The project specific aims are (1) to construct computational models of DNA lesions representative of those formed by endogenous processes and by low- and high Linear Energy Transfer (LET) radiation and (2) to computationally characterize the molecular-level properties of model singly and multiply damaged DNA sites.
Project Details
Project type
Capability Research
Start Date
2003-10-02
End Date
2005-10-05
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Haranczyk M, and MS Gutowski. 2007. "Differences in Electrostatic Potential Around DNA Fragments Containing Guanine and 8-oxo-Guanine." Theoretical Chemistry Accounts 117(2):291-296.