NSF-DFG: Combining Simulation and Spectroscopy to Determine the Structure and Dynamics of Adsorbed Proteins - Application to Biomass Conversion

NSF-DFG：结合模拟和光谱学来确定吸附蛋白质的结构和动力学 - 在生物质转化中的应用

• 批准号: 1264459
• 负责人: Jim Pfaendtner
• 金额: $ 30.78万
• 依托单位: University of Washington
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-08-01 至 2017-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1264459&HistoricalAwards=false
• 关键词: NSF; DFG; Combining; Simulation; Spectroscopy

This proposal is an international collaborative proposal that couples molecular modeling with spectroscopies to elucidate the structure, to the atomic scale resolution, of an enzymatic binding center interacting with a substrate surface. The protein fragment is the cellulase enzyme's carbohydrate binding module. The hypothesis is that binding of such a module to a (hydrophobic) surface will induce changes in molecular structure, which are critical to the function of the biomolecule. the simulation part would be carried out by the PI in the US, and the experimental part carried out in Germany by the collaborator.

该提案是一项国际协作提案，该提案将分子建模与光谱镜结合，以阐明与酶结合中心与底物表面相互作用的酶结合中心的结构。蛋白质片段是纤维素酶的碳水化合物结合模块。假设是，这种模块与（疏水）表面的结合将诱导分子结构的变化，这对于生物分子的功能至关重要。模拟部分将由PI在美国进行，并由合作者在德国进行的实验部分进行。