Computer simulation studies of the fidelity of DNA polymerases.

Abstract:

: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.

journal_name

Biopolymers

journal_title

Biopolymers

authors

Florián J,Goodman MF,Warshel A

doi

10.1002/bip.10244

subject

Has Abstract

pub_date

2003-03-01 00:00:00

pages

286-99

issue

3

eissn

0006-3525

issn

1097-0282

journal_volume

68

pub_type

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