Simulation Studies of Protein Dynamics in Membranes

加州大学欧文分校的Douglas Tobias教授得到了化学系的理论和计算化学项目以及分子和细胞生物科学系的分子生物物理学项目的支持，他的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。他的研究包括三个项目：(1)继续和扩展他之前的工作，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)脂质双分子层raft微结构域的建模；(3)含蛋白脂质双层荧光实验的分子动力学模拟。这项工作将在生物物理学和脂质双分子层物理化学领域产生广泛的影响。

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.