Computer simulation studies of the fidelity of DNA polymerases

被引：40

作者：

Florián, J

Goodman, MF

Warshel, A ^{[1
]}

机构：

[1] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA

[2] Univ So Calif, Dept Biol Sci, Hedco Mol Biol Labs, Los Angeles, CA 90089 USA

来源：

BIOPOLYMERS | 2003年 / 68卷 / 03期

关键词：

computer simulations; DNA polymerases; replication fidelity; free energy perturbation; linear response approximation; empirical valence bond; mismatched base pairs;

D O I：

10.1002/bip.10244

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Computer simulations can provide in principle quantitative correlation between the structures of DNA polymerases and the replication fidelity. This paper describes our progress in this direction. Using several theoretical approaches, including the free energy perturbation (FEP), linear response approximation (LRA), and the empirical valence bond (EVB) methods, we examined the stability of several mismatched base pairs in DNA duplex in aqueous solution, the contribution of binding energy to the fidelity of DNA polymerases beta and T7, and the mechanism and energetics of the polymerization reaction catalyzed by T7 DNA polymerase. (C) 2003 Wiley Periodicals, Inc.

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收藏

页码：286 / 299

页数：14

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