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
Biopolymersjournal_title
Biopolymersauthors
Florián J,Goodman MF,Warshel Adoi
10.1002/bip.10244subject
Has Abstractpub_date
2003-03-01 00:00:00pages
286-99issue
3eissn
0006-3525issn
1097-0282journal_volume
68pub_type
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