| 邱榕,范维澄.高温下环状五肽构象的分子模拟[J].火灾科学,2000,9(4):45-50. |
| 高温下环状五肽构象的分子模拟 |
| Molecular Simulation of Cyclic Penta-peptide at High Temperature |
| 投稿时间：2000-07-10 修订日期：2000-09-20 |
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| DOI：10.3969/j.issn.1004-5309.年.期.顺序 |
| 基金项目: |
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| 中文关键词: 温度 能量优化 随机动力学 分子模拟 |
| 英文关键词:temperature energy minimization stochastic dynamics molecular simulation |
| 摘要点击次数: 593 |
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| 中文摘要: |
| 运用能量优化和随机动力学模拟了高温下环状五肽的构象 ,通过能量优化产生粗结构 ,实现了对此粗结构的随机动力学模拟。结果表明 ,对本文的研究对象 ,该模拟方法是高效合理的 ,该方法提供了一种生物分子结构和功能研究的新思路 ,模拟结果对从分子水平上揭示高温环境下生物分子的空间结构提供了理论依据 ,并可应用于生物分子结构和功能的研究中。 |
| 英文摘要: |
| Energy minimization and stochastic dynamics simulation of cyclic penta-peptide at high temperature was carried out. Starting from the structure obtained from energy minimization, a spatial structure of the cyclic penta-peptide was calculated by stochastic dynamics. The results showed that the simulation method is efficient and possible for the object of our study. At the same time, the method can apply to study the relation between structure and function of protein. The simulation results present a theoretical foundation on biomolecular spatial structure in high temperature environment. The work is valuable to protein engineering and molecular design. |
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