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ALL-ATOM MOLECULAR MODELING AND DYNAMICS SIMULATION OF TROPOCOLLAGEN STRUCTURES WITH CROSS-LINKING
https://doi.org/10.32286/00022958
https://doi.org/10.32286/0002295842378421-6d36-4dd3-9965-f5674d0dfb9f
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
KU-1100-20210320-01.pdf (763.4 kB)
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| Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2021-03-30 | |||||
| タイトル | ||||||
| タイトル | ALL-ATOM MOLECULAR MODELING AND DYNAMICS SIMULATION OF TROPOCOLLAGEN STRUCTURES WITH CROSS-LINKING | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
| 資源タイプ | departmental bulletin paper | |||||
| ID登録 | ||||||
| ID登録 | 10.32286/00022958 | |||||
| ID登録タイプ | JaLC | |||||
| 著者 |
Suzuki, Ryosuke
× Suzuki, Ryosuke× Saitoh, Ken-ichi× Sato, Tomohiro× Takuma, Masanori× Takahashi, Yoshimasa |
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| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 44731 | |||||
| 姓名 | 鈴木, 亮佑 | |||||
| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 44732 | |||||
| 姓名 | 齋藤, 賢一 | |||||
| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 44733 | |||||
| 姓名 | 佐藤, 知広 | |||||
| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 44734 | |||||
| 姓名 | 宅間, 正則 | |||||
| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 44735 | |||||
| 姓名 | 高橋, 可昌 | |||||
| 概要 | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | Collagen is the most abundant protein in humans and animals, and it is currently being applied to the development of novel materials used in medical devices. In order to improve the performance and usability of such devices, understanding the strength of collagen is key. The basic structural unit of collagen is tropocollagen (TC), which are nanometer-sized rods composed of characteristic triple helices of peptide molecules. As TC is too small to be evaluated experimentally, computer modeling and simulation using molecular dynamics (MD) are effective in its study. There are numerous cross-linked structures between TC molecules that are considered to have major effects on its mechanical properties, including strength and ductility. In this study, an all-atom model for MD computation is constructed in which three TC molecules are arranged in parallel together with some improvised cross-linking (CL) molecules. A simulation of the tensile test is conducted by pulling one of the molecules using the steered molecular dynamics (SMD) method in order to investigate the influence of CL molecules in the deformation process of TC molecules. The results revealed that the model with CL molecules requires greater load than the model without CL molecules until the TC molecules are removed. This study demonstrates that CL molecules play a major but microscopic role in increasing the strength of collagen. | |||||
| 書誌情報 |
Science and technology reports of Kansai University = 関西大学理工学研究報告 巻 63, p. 1-11, 発行日 2021-03-20 |
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| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 04532198 | |||||
| 書誌レコードID | ||||||
| 収録物識別子タイプ | NCID | |||||
| 収録物識別子 | AA12314657 | |||||
| 著者版フラグ | ||||||
| 出版タイプ | VoR | |||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
| 出版者 | ||||||
| 出版者 | Kansai University | |||||
| 出版者（他言語） | ||||||
| 値 | 関西大学 | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | 関西大学 | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | Kansai University | |||||
