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Molecular Dynamics Analysis of Biomolecular Systems Including Nucleic Acids

2021/11/21 by Takeru Kameda, Kameda, Takeru, Akinori Awazu +3
Biochemistry, Genetics and Molecular Biology · #Biological Physics (physics.bio-ph) #Biomolecules (q-bio.BM) #Chemical Synthesis and Analysis #DNA and Nucleic Acid Chemistry #FOS: Biological sciences #FOS: Physical sciences #RNA and protein synthesis mechanisms

paper · pdf · doi:10.48550/arxiv.2111.10749

openalex publication_date 2021/11/21 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Along with recent progress in structural biology and genome biology, structural dynamics of molecular systems including nucleic acids has attracted attention in the context of gene regulation. Structure-function relationship is an important topic, where physicochemical properties of nucleotides are important as well as those of amino acids in proteins. Simulation is a useful tool for the analysis of molecular dynamics in detail, complementary to experiments. However, molecular simulation of nucleic acids has less developed than that of proteins yet, partly due to the physical nature of nucleic acids. In this review, we briefly describe the current situation and future directions of the field, hopefully as a guide to collaboration between experiment and computation.

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