Locating and controlling energy transport in proteins, clusters and nanoporous materials

定位和控制蛋白质、团簇和纳米多孔材料中的能量传输

• 批准号: 0910669
• 负责人: David Leitner
• 金额: $ 26.73万
• 依托单位: Board of Regents, NSHE, obo University of Nevada, Reno
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-09-15 至 2014-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0910669&HistoricalAwards=false
• 关键词: Locating; controlling; energy; transport; proteins

David Leitner of the University of Nevada, Reno is supported by an award from the Theoretical and Computational Chemistry program to develop and apply computational methods to locate pathways for energy transport in proteins, clusters and nanoporous materials. By identifying networks of channels for energy flow in proteins, nanoporous materials, and clusters, the Leitner group examines their role 1) steps involved in an allosteric transition; 2)thermal transport on the nanoscale; and 3) kinetics of conformational change. This research brings together principles developed in a range of disciplines, including biophysical, materials and theoretical physical chemistry. It addresses important computational problems involving proteins, glasses, nanoporous materials and clusters, including development and application of methods to study thermal properties of materials used in small integrated circuits, where progress has potential economic impact

里诺的内华达州大学的大卫莱特纳得到了理论和计算化学项目的一个奖项的支持，以开发和应用计算方法来定位蛋白质、簇和纳米多孔材料中的能量传输途径。 通过识别蛋白质、纳米多孔材料和簇中能量流动的通道网络，Leitner小组研究了它们的作用：1）参与变构转变的步骤; 2）纳米尺度上的热传递; 3）构象变化的动力学。这项研究汇集了在一系列学科，包括生物物理，材料和理论物理化学发展的原则。它解决了涉及蛋白质，玻璃，纳米多孔材料和集群的重要计算问题，包括开发和应用方法来研究小型集成电路中使用的材料的热性能，其中进展具有潜在的经济影响