包括核酸在内的生物分子系统的分子动力学分析。

Biophysics and Physicobiology Pub Date : 2022-08-23 eCollection Date: 2022-01-01 DOI:10.2142/biophysico.bppb-v19.0027
Takeru Kameda, Akinori Awazu, Yuichi Togashi
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引用次数: 2

摘要

随着近年来结构生物学和基因组生物学的研究进展,包括核酸在内的分子系统的结构动力学在基因调控领域受到了广泛关注。结构-功能关系是一个重要的主题,它突出了核苷酸的物理化学性质的重要性,以及蛋白质中氨基酸的物理化学性质。模拟是分子动力学详细分析的有用工具,是对分子生物学实验的补充;然而,由于核酸的物理性质,核酸的分子模拟不如蛋白质的分子模拟发达。在这篇综述中,我们简要地描述了该领域的现状和未来的发展方向,以促进实验学家和计算生物学家之间的合作。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Molecular dynamics analysis of biomolecular systems including nucleic acids.

Molecular dynamics analysis of biomolecular systems including nucleic acids.

Molecular dynamics analysis of biomolecular systems including nucleic acids.

Molecular dynamics analysis of biomolecular systems including nucleic acids.

With the recent progress in structural biology and genome biology, structural dynamics of molecular systems that include nucleic acids has attracted attention in the context of gene regulation. The structure-function relationship is an important topic that highlights the importance of the physicochemical properties of nucleotides, as well as that of amino acids in proteins. Simulations are a useful tool for the detailed analysis of molecular dynamics that complement experiments in molecular biology; however, molecular simulation of nucleic acids is less well developed than that of proteins partly due to the physical nature of nucleic acids. In this review, we briefly describe the current status and future directions of the field as a guide to promote collaboration between experimentalists and computational biologists.

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