Computer simulation studies of the fidelity of DNA polymerases
Computer simulation studies of the fidelity of DNA polymerases
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DOI：
10.1002/bip.10244
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发表时间：
2003-03-01
期刊：
影响因子：
2.9
通讯作者：
Warshel, A
中科院分区：
文献类型：
--
作者：
Florián, J;Goodman, MF;Warshel, A
计算机模拟可以提供DNA聚合酶的结构和复制保真度之间的定量相关性。本文介绍了我们在这方面的进展。本文采用自由能微扰（FEP）、线性响应近似（LRA）和经验价键（EVB）方法，研究了DNA双链体中几个错配碱基对在水溶液中的稳定性，结合能对DNA聚合酶β和T7的保真度的贡献，以及T7 DNA聚合酶催化聚合反应的机理和能量学。(C)2003 Wiley Periodicals，Inc.
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.