A Mechanics Framework for the Analysis and Design of Protein Based Nano Machines

该奖项是根据2009年《美国复苏和再投资法案》(公法111-5)提供资金的。本研究项目致力于一种新的蛋白质分子的机械设计、分析和仿真框架。蛋白质是自然界进化出来的纳米器件，这一事实表明，基于多肽链构建块的仿生人工纳米机器的发展不仅前景光明，而且可能是应对这些挑战的最实用的方法。该项目在NSF探索性研究小额拨款(SGER)下继续最近的发展，并建立在研究团队开发的名为‘PROTOFOLD’的数值建模平台上。该项目将利用机械分析和设计工具将蛋白质分子准确地建模为机械设备，从而促进了解它们的功能或为特定功能目的设计和操纵基于蛋白质的分子设备的能力。多学科研究团队包括工程学、生物学和药理学方面的专业知识，将验证拟议的分析工具，并在包括纳米材料、疫苗和药物设计在内的实际应用中对它们进行基准测试。如果成功，这项拟议的研究将提供开发纳米级日益复杂的设备的能力，能够充当传感器，或执行更复杂的任务。该项目的影响范围更广，从蛋白质组学、医学和合理的药物设计到生物计算机、生物机器人和生物传感器。该项目的跨学科性质也将对通过该项目支持的学生以及其他研究生和本科生产生重大的教育影响，这些学生将通过四门单独的课程包括多肽基纳米系统的力学模块。该计划的外展活动包括通过已有的基础设施向K-12教室进行外展，并通过哈特福德的科学博物馆向普通公众进行外展。

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5). This research project focuses on a new mechanical design, analysis and simulation framework for protein molecules. The fact that proteins are nano devices developed through evolution by nature suggests that the development of biomimetic artificial nano machines based on polypeptide chain building blocks is not only promising, but may also be the most practical approach to meet these challenges. This project continues the recent developments under an NSF Small Grant for Exploratory Research (SGER) and builds on a numerical modeling platform called 'PROTOFOLD' developed by the research team. The project will make use of mechanical analysis and design tools to accurately model protein molecules as mechanical devices, hence facilitating understanding of their function or ability to design and manipulate protein based molecular devices for specific functional purposes. The multi-disciplinary research team includes expertise in engineering, biology and pharmacology and will validate the proposed analytical tools and benchmark them in practical applications including nano-material, vaccine and drug design. If successful, the proposed research will provide the ability to develop devices of increasing sophistication at the nano level, capable of acting as sensors, or carrying out more complex tasks. The broader impacts of this project range from proteomics, medicine, and rational drug design to biocomputers, bio robots, and biosensors. The interdisciplinary nature of this project will also have substantial educational impact on the students that will be supported through this program as well as on other graduate and undergraduate students through the proposed modules in mechanics of peptide based nano systems to be included in four separate courses. The outreach activities of this program include outreach to K-12 classrooms through the infrastructure already in place, and to the general public through the science museum in Hartford.