期刊
BIOPOLYMERS
卷 68, 期 3, 页码 286-299出版社
WILEY
DOI: 10.1002/bip.10244
关键词
computer simulations; DNA polymerases; replication fidelity; free energy perturbation; linear response approximation; empirical valence bond; mismatched base pairs
资金
- NIGMS NIH HHS [GM21422, GM24492] Funding Source: Medline
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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