International Journal of Molecular Sciences | |
Yevgeniy Podolyan1  Leonid Gorb1  | |
[1]Computational Center for Molecular Structure and Interactions, Jackson State University, Department of Chemistry, 1325 J.R. Lynch St., Jackson, MS 39217-0510, U.S.A.Tel.: (601) 979-7824, Fax: (601) 979-7823, E-mail | |
关键词: ab initio; quantum dynamics; spontaneous point mutations; tautomers; rate constants; equilibrium constants; | |
DOI : 10.3390/i4070410 | |
来源: mdpi | |
【 摘 要 】
High-level quantum-chemical and quantum-dynamics calculations are reported on the tautomerization equilibria and rate constants of isolated and monohydrated cytosine and guanine molecules. The results are used to estimate the fraction of the bases present in the cell during DNA synthesis as the unwanted tautomers that forms irregular base pairs, thus giving rise to a spontaneous GC → AT point mutation. A comparison of the estimated mutation frequencies with the observed frequency in
【 授权许可】
Unknown
© 2003 by MDPI (http://www.mdpi.org).
【 预 览 】
Files | Size | Format | View |
---|---|---|---|
RO202003190060487ZK.pdf | 199KB | download |