The Compressive Tolerance of Biological Nanomachines

描述（由申请人提供）：我们的研究将量化各种蛋白质结构域的压缩特性。我们将进行计算机模拟（和一些分析工作），以深入了解大自然如何支持机械力的产生。具体来说，我们的工作将包括三个部分：分子动力学模拟将用于研究GroEL伴侣的单个亚基的结构域，各种分子机器亚基的结构域的机械响应将通过正常模式和应变张量分析进行研究，以及一种涉及布朗动力学的新技术将用于研究力在结构域中的传播。在遥远的将来，我们希望我们的研究结果将被生物工程师用来设计产生力量的机器，以预防和对抗诸如阿尔茨海默氏症、帕金森氏症和无数其他疾病。我们的提案要求我们实施一些分子模拟领域的最新技术和开发一些新技术。最后，我们的结果不仅可以与实验相比较，而且还将为理解一类纳米机器的工作原理提供一个概念框架。

DESCRIPTION (provided by applicant): Our study will quantify the compressive properties of the structural domains of various proteins. We will perform computer simulations (and some analytical work) to gain insight into how nature supports the generation of mechanical force. Specifically, our work will consist of three parts: molecular dynamics simulations will be used to investigate the structural domains of a single subunit of the GroEL chaperone, the mechanical response of the structural domains of the subunits of various molecular machines will be investigated via normal mode and strain tensor analysis, and a novel technique involving Brownian dynamics be used to study force propagation through structural domains. In the distant future we hope that the results of our investigations will be employed by bioengineers to design force-generating machines to prevent and fight diseases such as Alzheimer's, Parkinson's, and countless others. Our proposal requires that we implement some of the latest technologies in the field of molecular simulation and the development of some novel techniques. Finally, our results will not only be comparable with experiment, but they will also provide a conceptual framework for understanding the workings of a class of nanomachines.