Computer simulations of lipids

脂质的计算机模拟

• 批准号: RGPIN-2015-05305
• 负责人: Tieleman, Peter
• 金额: $ 6.48万
• 依托单位: University of Calgary
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2017
• 资助国家: 加拿大
• 起止时间: 2017-01-01 至 2018-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=632379
• 关键词: Computer; simulations; lipids

Biomolecules, such as proteins, DNA, lipids, and carbohydrates, exist in a microscopic universe with time and length scales 6-12 orders of magnitude smaller than the meters and seconds in which we measure length and time. They move rapidly on a time scale of nanoseconds and interact with individual water molecules the size of a few tenths of a nanometer. Most biomolecules are very small compared to the wavelength of visible light. This means they cannot be seen with ordinary microscopes, although there are many sophisticated experimental methods to measure aspects of the behaviour, shape, and interactions of biomolecules. Computer modeling is a complimentary approach to such experiments, both by themselves and in direct combination with experiments that otherwise could not be interpreted at a molecular level.

生物分子，如蛋白质，DNA，脂质和碳水化合物，存在于微观宇宙中，其时间和长度尺度比我们测量长度和时间的米和秒小6-12个数量级。它们在纳秒的时间尺度上快速移动，并与零点几纳米大小的单个水分子相互作用。与可见光的波长相比，大多数生物分子都非常小。这意味着它们不能用普通的显微镜看到，尽管有许多复杂的实验方法来测量生物分子的行为，形状和相互作用。计算机建模是对这些实验的一种补充方法，无论是通过它们本身还是与实验直接结合，否则无法在分子水平上解释。