Walker Alice R, Cisneros G Andrés
Department of Chemistry, University of North Texas , 1155 Union Circle, Denton, Texas 76203, United States.
Chem Res Toxicol. 2017 Nov 20;30(11):1922-1935. doi: 10.1021/acs.chemrestox.7b00161. Epub 2017 Sep 15.
Genetic information is vital in the cell cycle of DNA-based organisms. DNA polymerases (DNA Pols) are crucial players in transactions dealing with these processes. Therefore, the detailed understanding of the structure, function, and mechanism of these proteins has been the focus of significant effort. Computational simulations have been applied to investigate various facets of DNA polymerase structure and function. These simulations have provided significant insights over the years. This perspective presents the results of various computational studies that have been employed to research different aspects of DNA polymerases including detailed reaction mechanism investigation, mutagenicity of different metal cations, possible factors for fidelity synthesis, and discovery/functional characterization of cancer-related mutations on DNA polymerases.
遗传信息在基于DNA的生物体的细胞周期中至关重要。DNA聚合酶（DNA Pols）是处理这些过程的关键参与者。因此，对这些蛋白质的结构、功能和机制的详细了解一直是大量研究工作的重点。计算模拟已被用于研究DNA聚合酶结构和功能的各个方面。多年来，这些模拟提供了重要的见解。本综述介绍了各种计算研究的结果，这些研究被用于研究DNA聚合酶的不同方面，包括详细的反应机制研究、不同金属阳离子的致突变性、保真合成的可能因素，以及DNA聚合酶上癌症相关突变的发现/功能表征。
