6533b7defe1ef96bd1276600
RESEARCH PRODUCT
Solvating, manipulating, damaging, and repairing DNA in a computer
Juraj Kotulic BuntaPatric SchymanMartin DahlbergNikolai KorolevAlexander P. LyubartsevRaimo A. LohikoskiMiroslav PinakAatto LaaksonenLeif A. Erikssonsubject
chemistry.chemical_classificationBiomoleculefungifood and beveragesCondensed Matter PhysicsQuantum chemistryAtomic and Molecular Physics and OpticsStructure and functionIonchemistry.chemical_compoundchemistryBiophysicsTheoretical chemistryMoleculePhysical and Theoretical ChemistryDNAdescription
This work highlights four different topics in modeling of DNA: (i) the importance of water and ions together with the structure and function of DNA; the hydration structure around the ions appears to be the determining factor in the ion coordination to DNA, as demonstrated in the results of our MD simulations; (ii) how MD simulations can be used to simulate single molecule manipulation experiments as a complement to reveal the structural dynamics of the studied biomolecules; (iii) how damaged DNA can be studied in computer simulations; and (iv) how repair of damaged DNA can be studied theoretically. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2006-01-01 | International Journal of Quantum Chemistry |