CAREER: Use of Atomic-Level Models to Study Lipid Bilayer Membranes and to Enhance Undergraduate Teaching

职业：利用原子级模型研究脂质双层膜并加强本科教学

• 批准号: 0091508
• 负责人: Scott Feller
• 金额: $ 50万
• 依托单位: Wabash College
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-05-01 至 2007-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0091508&HistoricalAwards=false
• 关键词: CAREER; Use; Atomic; Level; Models

FELLER0091508Biological membranes are inherently heterogeneous and disordered in the physiologically relevant liquid-crystalline phase, thus atomic-level structural data is difficult to obtain experimentally. In this project, molecular dynamics simulations will be carried out on membranes containing a variety of phospholipids, as well as small solutes, nonionic surfactants, and peptides. These simulations will complement the existing body of experimental data from NMR. Specifically, many of the analyses will extract bilayer properties that aid in the interpretation of experimental data on lipid and lipid-solute interactions, and on complex membranes incorporating lipids with detergents, small solutes, membrane-bound peptides, and trans-membrane proteins. This research will extensively involve undergraduate students as co-workers. In addition to testing simulation methods, carrying out simulations, and analyzing/interpreting simulation results, students will present their results to the campus community and national and regional scientific meetings. These presentations will prepare them for careers as scientific researchers and will demonstrate exciting opportunities available to prospective science majors. Additional enhancement of undergraduate education will come through the development of molecular modeling exercises that can be utilized throughout the chemistry curriculum, and the use of "p-chem portfolios".This career development plan includes an integrated program of research and teaching centered around the use of molecular dynamics computer simulation to probe the structure and dynamics of lipid bilayer membranes. This research program will have significant impact on undergraduate instruction through the transfer of molecular modeling techniques from the research laboratory to the chemistry curriculum at Wabash College, as well as via the research internships that will be available to numerous students during the academic year and summer.

FELLER 0091508生物膜在生理学相关的液晶相中具有固有的异质性和无序性，因此很难通过实验获得原子水平的结构数据。在这个项目中，分子动力学模拟将在含有各种磷脂，以及小溶质，非离子表面活性剂和肽的膜上进行。这些模拟将补充现有的NMR实验数据。具体而言，许多分析将提取双层特性，有助于解释脂质和脂质-溶质相互作用的实验数据，以及将脂质与洗涤剂、小溶质、膜结合肽和跨膜蛋白结合的复杂膜。 这项研究将广泛涉及本科生作为合作者。除了测试模拟方法，进行模拟，并分析/解释模拟结果，学生将他们的结果呈现给校园社区和国家和地区的科学会议。这些演讲将为他们作为科学研究人员的职业生涯做好准备，并将展示未来科学专业的令人兴奋的机会。本科教育的进一步加强将通过分子建模练习，可以在整个化学课程的发展，并使用“p-chem投资组合”。这个职业发展计划包括一个研究和教学的综合方案，围绕使用分子动力学计算机模拟探测脂质双层膜的结构和动力学。该研究计划将通过将分子建模技术从研究实验室转移到瓦巴什学院的化学课程，以及通过将在学年和夏季提供给众多学生的研究实习，对本科教学产生重大影响。