有哪些信誉好的足球投注网站ab initio study of the prototropic tautomerism of cytosine and guanine and their contribution to spontaneous point mutations从头开始研究prototropic互变异构的胞嘧啶鸟嘌呤和他们的贡献自发的点突变.pdfVIP
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ab initio study of the prototropic tautomerism of cytosine and guanine and their contribution to spontaneous point mutations从头开始研究prototropic互变异构的胞嘧啶鸟嘌呤和他们的贡献自发的点突变
Int. J. Mol. Sci. 2003, 4, 410-421
International Journal of
Molecular Sciences
ISSN 1422-0067
© 2003 by MDPI
/ijms/
Ab Initio Study of the Prototropic Tautomerism of Cytosine and
Guanine and Their Contribution to Spontaneous Point
Mutations
Yevgeniy Podolyan, Leonid Gorb, Jerzy Leszczynski*
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: jerzy@ccmsi.us
* Author to whom correspondence should be addressed.
Received: 7 April 2003 / Accepted: 9 April 2003 / Published: 25 June 2003
Abstract: 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 E. coli is used to analyze two proposed
mechanisms, differing in the degree of equilibration reached in the tautomerization reaction.
It was found that the fraction of the rare tautomer in monohydrated complex of cytosine as
well as guanine significantly exceed the amount responsible for the observed val
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