Solvating, manipulating, damaging, and repairing DNA in a computer

Autor:	Juraj Kotulic Bunta, Patric Schyman, Martin Dahlberg, Nikolai Korolev, Alexander P. Lyubartsev, Raimo A. Lohikoski, Miroslav Pinak, Aatto Laaksonen, Leif A. Eriksson
Rok vydání:	2006
Předmět:	chemistry.chemical_classification Biomolecule fungi food and beverages Condensed Matter Physics Quantum chemistry Atomic and Molecular Physics and Optics Structure and function Ion chemistry.chemical_compound chemistry Biophysics Theoretical chemistry Molecule Physical and Theoretical Chemistry DNA
Zdroj:	International Journal of Quantum Chemistry. 107:279-291
ISSN:	1097-461X 0020-7608
DOI:	10.1002/qua.21191
Popis:	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
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b27bbf0e53d215247b5d360b6174c2cf https://doi.org/10.1002/qua.21191 Zobrazit plný text záznamu Plný text