Sharp K A, Honig B
Johnson Research Foundation, Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia 19104, USA.
Curr Opin Struct Biol. 1995 Jun;5(3):323-8. doi: 10.1016/0959-440x(95)80093-x.
Salt-dependent electrostatic effects are a major factor in determining the stability, structure, reactivity, and binding behavior of nucleic acids. Increasingly detailed theoretical methods, especially those based on Monte Carlo and Poisson-Boltzmann methodologies, combined with powerful computational algorithms are being used to examine how the shape, charge distribution and dielectric properties of the molecules affect the ion distribution in the surrounding aqueous solution, and how they play a role in ligand binding, structural transitions and other biologically important reactions. These studies indicate that inclusion of detailed structural information about the nucleic acid and its ligands is crucial for improving models of nucleic acid electrostatics, and that better treatment of the ion atmosphere and dielectric effects is also of major importance.
依赖盐的静电效应是决定核酸稳定性、结构、反应性和结合行为的主要因素。越来越详细的理论方法，尤其是基于蒙特卡罗和泊松-玻尔兹曼方法的那些方法，与强大的计算算法相结合，正被用于研究分子的形状、电荷分布和介电性质如何影响周围水溶液中的离子分布，以及它们如何在配体结合、结构转变和其他生物学上重要的反应中发挥作用。这些研究表明，纳入有关核酸及其配体的详细结构信息对于改进核酸静电模型至关重要，并且更好地处理离子氛围和介电效应也非常重要。
