在AOT反向微粒中聚的结构,稳定性和水合
Stéphane Abel1, Marcel Waks, Wladimir Urbach
1Commissariat à l'Energie Atomique, DSV-DBJC-SBFM, Centre d'Etudes, Saclay, Gif-sur-Yvette, France.
Journal of the American Chemical Society
|January 13, 2006
概括
一个简单的,氨酸zwitterionic octapeptide (A8),变得稳定在一个折叠的螺旋结构在小反向 (RMs). 较大的RM会导致体采用延伸结构.
科学领域:
- 计算化学是一种计算化学.
- 生物物理学的生物物理.
- 超分子化学 超分子化学
背景情况:
- 酸通常在水溶液中表现出不稳定的构造.
- 反向微粒 (RMs) 是可以改变折叠和稳定性的纳米结构.
- 对于生物分子应用来说,了解封闭环境中的类行为至关重要.
研究的目的:
- 为了研究反向小粒体内的氨酸特烯八 (A8) 的构造稳定性.
- 为了确定反向微粒大小对结构的影响.
- 为RMS中稳定提供理论证据.
主要方法:
- 使用了分子动力学模拟.
- 模拟了二甲基硫酸逆基的现实模型.
- 模拟是在长时间内进行的.
主要成果:
- 在整个模拟过程中,在较小的反向微粒中观察到A8的稳定螺旋结构.
- 在较大的反向菌群中,A8迅速采用了扩展的形状.
- 反向小的大小显著影响的结构稳定性.
结论:
- 反向小细胞尺寸是控制氨酸zwitterionic octapeptide折叠结构的一个关键因素.
- 适当大小的反向微粒可以稳定否则不稳定的形状.
- 这些发现对的设计和输送系统有影响.
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