The Compressive Tolerance of Biological Nanomachines

描述(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。具体地说，我们的工作将包括三个部分：分子动力学模拟将被用来研究GroEL伴侣的单个亚单位的结构域，通过简正模式和应变张量分析将研究不同分子机器亚单位的结构域的力学响应，以及一种新的涉及布朗动力学的技术将被用来研究力通过结构域的传播。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，以预防和对抗阿尔茨海默氏症、帕金森氏症和无数其他疾病。我们的建议要求我们在分子模拟领域实施一些最新技术，并开发一些新技术。最后，我们的结果不仅与实验具有可比性，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.