Simulation Studies of Protein Dynamics in Membranes

膜中蛋白质动力学的模拟研究

• 批准号: 0417158
• 负责人: Douglas Tobias
• 金额: $ 35.25万
• 依托单位: University of California-Irvine
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-07-01 至 2008-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0417158&HistoricalAwards=false
• 关键词: Simulation; Studies; Protein; Dynamics; Membranes

Prof. Douglas Tobias of the University of California, Irvine, is supported by both the Theoretical and Computational Chemistry program within the Division of Chemistry and the Molecular Biophysics program within the Division of Molecular and Cellular Biosciences for research which employs atomistic molecular dynamics simulations to investigate the interplay of the dynamics of proteins, lipids and water in biological membranes. The research involves three projects: (1) continuation and extension of his prior work on MD simulations of solvent effects on membrane proteins and comparison to neutron scattering data; (2) modeling of raft microdomains in lipid bilayers; and (3) molecular dynamics simulations of fluorescence experiments on lipid bilayers with proteins. This work will have a broad impact on the fields of biophysics and physical chemistry of lipid bilayers.

加州大学欧文分校的道格拉斯·托比亚斯教授得到了化学系理论和计算化学项目以及分子和细胞生物科学系分子生物物理项目的支持，研究采用原子分子动力学模拟来研究生物膜中蛋白质、脂质和水的动力学相互作用。 该研究涉及三个项目：（1）继续和扩展他以前的工作，即溶剂对膜蛋白的影响的MD模拟和与中子散射数据的比较;（2）脂质双层中筏微区的建模;和（3）脂质双层与蛋白质荧光实验的分子动力学模拟。 这项工作将对脂质双层的生物物理和物理化学领域产生广泛的影响。