ダウンロード数: 494
このアイテムのファイル:
ファイル | 記述 | サイズ | フォーマット | |
---|---|---|---|---|
j.jbiomech.2010.07.022.pdf | 819.43 kB | Adobe PDF | 見る/開く |
タイトル: | Evaluation of extensional and torsional stiffness of single actin filaments by molecular dynamics analysis. |
著者: | Matsushita, Shinji Adachi, Taiji https://orcid.org/0000-0001-5280-4156 (unconfirmed) Inoue, Yasuhiro https://orcid.org/0000-0002-1968-8883 (unconfirmed) Hojo, Masaki Sokabe, Masahiro |
著者名の別形: | 安達, 泰治 |
キーワード: | Actin filament Extensional and torsional stiffness Thermal fluctuation Molecular dynamics simulation Computational biomechanics Cell mechanics |
発行日: | 1-Dec-2010 |
出版者: | Elsevier Ltd |
誌名: | Journal of biomechanics |
巻: | 43 |
号: | 16 |
開始ページ: | 3162 |
終了ページ: | 3167 |
抄録: | It is essential to investigate the mechanical behaviour of cytoskeletal actin filaments in order to understand their critical role as mechanical components in various cellular functional activities. These actin filaments consisting of monomeric molecules function in the thermal fluctuations. Hence, it is important to understand their mechanical behaviour on the microscopic scale by comparing the stiffness based on thermal fluctuations with the one experimentally measured on the macroscopic scale. In this study, we perform a large-scale molecular dynamics (MD) simulation for a half-turn structure of an actin filament. We analyse its longitudinal and twisting Brownian motions in equilibrium and evaluated its apparent extensional and torsional stiffness on the nanosecond scale. Upon increasing the sampling-window durations for analysis, the apparent stiffness gradually decreases and exhibits a trend to converge to a value that is close to the experimental value. This suggests that by extrapolating the data obtained in the MD analysis, we can estimate the experimentally determined stiffness on the microsecond to millisecond scales. For shorter temporal scales, the apparent stiffness is larger than experimental values, indicating that fast, local motions of the molecular structure are dominant. To quantify the local structural changes within the filament on the nanosecond scale and investigate the molecular mechanisms, such as the binding of the actin-regulatory proteins to the filaments, it is preferable to analyse the mechanical behaviour on the nanometre and nanosecond scales using MD simulation. |
著作権等: | © 2010 Elsevier Ltd This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 |
URI: | http://hdl.handle.net/2433/139249 |
DOI(出版社版): | 10.1016/j.jbiomech.2010.07.022 |
PubMed ID: | 20825942 |
出現コレクション: | 学術雑誌掲載論文等 |
このリポジトリに保管されているアイテムはすべて著作権により保護されています。