Knowledge Management System of Institue of Mechanics, CAS
| Molecular Dynamics Simulation of Barnacle Cement | |
Yin J(尹俊); Zhao YP(赵亚溥) ; Zhu RC(朱如曾); Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China.
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| Source Publication | Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing,2005,409(1-2):160-166
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| 2005 | |
| ISSN | 0921-5093 |
| Abstract | Barnacle cement is an underwater adhesive that is used for permanent settlement. Its main components are insoluble protein complexes that have not been fully studied. In present article, we chose two proteins of barnacle cement for study, 36-KD protein and Mrcp-100K protein. In order to investigate the characteristic of above two proteins, we introduced the method of molecular modeling. And the simulation package GROMACS was used to simulate the behavior of these proteins. In this article, before the simulations, we introduce some theories to predict the time scale for polymer relaxation. During the simulation, we mainly focus on two properties of these two proteins: structural stability and adhesive force to substrate. First, we simulate the structural stability of two proteins in water, and then the stability of 36-KD protein in seawater environment is investigated.We find that the stability varies in the different environments. Next, to study adhesive ability of two proteins, we simulate the process of peeling the two proteins from the substrate (graphite). Then, we analyze the main reasons of these results. We find that hydrogen bonds in proteins play an important role in the protein stability. In the process of the peeling, we use Lennard–Jones 12-6 potential to calculate the van der Waals interactions between proteins and substrate. |
| Subject Area | 力学 |
| DOI | 10.1016/j.msea.2005.05.107 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000234033900024 |
| WOS Keyword | DNA-MOLECULES ; PROTEINS |
| WOS Research Area | Science & Technology - Other Topics ; Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS Subject | Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/17325 |
| Collection | 力学所知识产出(1956-2008) |
| Corresponding Author | Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China. |
| Recommended Citation GB/T 7714 | Yin J,Zhao YP,Zhu RC,et al. Molecular Dynamics Simulation of Barnacle Cement[J]. Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing,2005,409(1-2):160-166,2005. |
| APA | 尹俊,赵亚溥,朱如曾,&Zhao, YP .(2005).Molecular Dynamics Simulation of Barnacle Cement.Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing,2005,409(1-2):160-166. |
| MLA | 尹俊,et al."Molecular Dynamics Simulation of Barnacle Cement".Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing,2005,409(1-2):160-166 (2005). |
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