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 physicoche...

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Main Authors: Takeru Kameda, Akinori Awazu, Yuichi Togashi
Format: Article
Language:English
Published: The Biophysical Society of Japan 2022-09-01
Series:Biophysics and Physicobiology
Subjects:
Online Access:https://doi.org/10.2142/biophysico.bppb-v19.0027
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author Takeru Kameda
Akinori Awazu
Yuichi Togashi
author_facet Takeru Kameda
Akinori Awazu
Yuichi Togashi
author_sort Takeru Kameda
collection DOAJ
description 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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spelling doaj.art-3128a6156d29490b99ef9bbce1bed0682022-12-22T04:27:12ZengThe Biophysical Society of JapanBiophysics and Physicobiology2189-47792022-09-011910.2142/biophysico.bppb-v19.0027Molecular dynamics analysis of biomolecular systems including nucleic acidsTakeru Kameda0Akinori Awazu1Yuichi Togashi2College of Life Sciences, Ritsumeikan University, Kusatsu, Shiga 525-8577, JapanGraduate School of Integrated Sciences for Life, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8526, JapanCollege of Life Sciences, Ritsumeikan University, Kusatsu, Shiga 525-8577, JapanWith 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.https://doi.org/10.2142/biophysico.bppb-v19.0027dna/rnanucleosomemolecular modelingsimulationstructural dynamics
spellingShingle Takeru Kameda
Akinori Awazu
Yuichi Togashi
Molecular dynamics analysis of biomolecular systems including nucleic acids
Biophysics and Physicobiology
dna/rna
nucleosome
molecular modeling
simulation
structural dynamics
title Molecular dynamics analysis of biomolecular systems including nucleic acids
title_full Molecular dynamics analysis of biomolecular systems including nucleic acids
title_fullStr Molecular dynamics analysis of biomolecular systems including nucleic acids
title_full_unstemmed Molecular dynamics analysis of biomolecular systems including nucleic acids
title_short Molecular dynamics analysis of biomolecular systems including nucleic acids
title_sort molecular dynamics analysis of biomolecular systems including nucleic acids
topic dna/rna
nucleosome
molecular modeling
simulation
structural dynamics
url https://doi.org/10.2142/biophysico.bppb-v19.0027
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AT akinoriawazu moleculardynamicsanalysisofbiomolecularsystemsincludingnucleicacids
AT yuichitogashi moleculardynamicsanalysisofbiomolecularsystemsincludingnucleicacids