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Electrostatics of nucleic acid folding under conformational constraint.构象约束下核酸折叠的静电学。
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本文引用的文献

1
Spontaneous Formation of KCl Aggregates in Biomolecular Simulations: A Force Field Issue?生物分子模拟中KCl聚集体的自发形成:一个力场问题?
J Chem Theory Comput. 2007 Sep;3(5):1851-9. doi: 10.1021/ct700143s.
2
Ion counting from explicit-solvent simulations and 3D-RISM.从显溶剂模拟和 3D-RISM 进行离子计数。
Biophys J. 2014 Feb 18;106(4):883-94. doi: 10.1016/j.bpj.2014.01.021.
3
Single-molecule kinetics reveal cation-promoted DNA duplex formation through ordering of single-stranded helices.单分子动力学揭示了阳离子促进 DNA 双链体形成的机制,即通过单链螺旋的有序排列。
Biophys J. 2013 Aug 6;105(3):756-66. doi: 10.1016/j.bpj.2013.05.061.
4
Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations.将耦合密度泛函理论与极化力场相结合,实现高效准确的哈密顿分子动力学模拟。
J Chem Phys. 2013 Jun 28;138(24):244103. doi: 10.1063/1.4811292.
5
Quantifying Coulombic and solvent polarization-mediated forces between DNA helices.量化 DNA 螺旋之间的库仑和溶剂极化介导的力。
J Phys Chem B. 2013 Jun 20;117(24):7221-7. doi: 10.1021/jp4010955. Epub 2013 Jun 7.
6
Interacting ions in biophysics: real is not ideal.生物物理学中的相互作用离子:真实而非理想。
Biophys J. 2013 May 7;104(9):1849-66. doi: 10.1016/j.bpj.2013.03.049.
7
Electrostatic interactions mediated by polarizable counterions: weak and strong coupling limits.可极化抗衡离子介导的静电相互作用:弱耦合和强耦合极限。
J Chem Phys. 2012 Nov 7;137(17):174903. doi: 10.1063/1.4763986.
8
Competitive binding of cations to duplex DNA revealed through molecular dynamics simulations.通过分子动力学模拟揭示阳离子与双链 DNA 的竞争结合。
J Phys Chem B. 2012 Nov 1;116(43):12946-54. doi: 10.1021/jp306598y. Epub 2012 Oct 19.
9
Metal-ion rescue revisited: biochemical detection of site-bound metal ions important for RNA folding.重新探讨金属离子拯救:生物化学检测对 RNA 折叠至关重要的结合在特定部位的金属离子。
RNA. 2012 Jun;18(6):1123-41. doi: 10.1261/rna.028738.111. Epub 2012 Apr 26.
10
Electrostatics of nucleic acid folding under conformational constraint.构象约束下核酸折叠的静电学。
J Am Chem Soc. 2012 Mar 14;134(10):4607-14. doi: 10.1021/ja208466h. Epub 2012 Feb 27.

理解核酸与离子的相互作用。

Understanding nucleic acid-ion interactions.

作者信息

Lipfert Jan, Doniach Sebastian, Das Rhiju, Herschlag Daniel

机构信息

Department of Bionanoscience, Kavli Institute of Nanoscience, Delft University of Technology, 2628 CJ Delft, Netherlands; email:

出版信息

Annu Rev Biochem. 2014;83:813-41. doi: 10.1146/annurev-biochem-060409-092720. Epub 2014 Mar 5.

DOI:10.1146/annurev-biochem-060409-092720
PMID:24606136
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4384882/
Abstract

Ions surround nucleic acids in what is referred to as an ion atmosphere. As a result, the folding and dynamics of RNA and DNA and their complexes with proteins and with each other cannot be understood without a reasonably sophisticated appreciation of these ions' electrostatic interactions. However, the underlying behavior of the ion atmosphere follows physical rules that are distinct from the rules of site binding that biochemists are most familiar and comfortable with. The main goal of this review is to familiarize nucleic acid experimentalists with the physical concepts that underlie nucleic acid-ion interactions. Throughout, we provide practical strategies for interpreting and analyzing nucleic acid experiments that avoid pitfalls from oversimplified or incorrect models. We briefly review the status of theories that predict or simulate nucleic acid-ion interactions and experiments that test these theories. Finally, we describe opportunities for going beyond phenomenological fits to a next-generation, truly predictive understanding of nucleic acid-ion interactions.

摘要

离子环绕在核酸周围,形成所谓的离子氛围。因此,如果不能合理深入地理解这些离子的静电相互作用,就无法理解RNA和DNA的折叠与动力学,以及它们与蛋白质之间和彼此之间的复合物。然而,离子氛围的潜在行为遵循的物理规则与生物化学家最为熟悉和习惯的位点结合规则不同。本综述的主要目的是让核酸实验人员熟悉核酸 - 离子相互作用背后的物理概念。在整个过程中,我们提供了用于解释和分析核酸实验的实用策略,以避免因过于简化或错误的模型而产生的陷阱。我们简要回顾了预测或模拟核酸 - 离子相互作用的理论现状以及检验这些理论的实验。最后,我们描述了超越现象学拟合,对核酸 - 离子相互作用进行下一代真正预测性理解的机会。