Clustered DNA Damage: Electronic Properties and Their Influence on DNA Repair PubMed Central (PMC7072346) File Size Format .rar (compressed archive)
: It is most useful for bioinformaticians and molecular biologists looking to replicate the study's ONIOM strategy or Marcus theory calculations. Technical Summary Associated Paper 21507.rar
: The RAR file includes detailed supplementary tables and figures (e.g., Tables S1–S10 and Figure S1). These provide the raw calculations for: for radical cation migration within DNA trimers
The archive contains technical data supporting the research on how specific DNA lesions (clustered damage) affect charge transfer and subsequent repair mechanisms. Hirshfeld charge and spin distribution data
for radical cation migration within DNA trimers. Vertical and adiabatic ionization potentials of base pairs. Rate constants ( KHTcap K sub cap H cap T end-sub ) for hole transfer in various DNA sequences. Hirshfeld charge and spin distribution data.