Theoretical Studies of Membrane Proteins

[808902] Honig本项目是一个研究项目的延续，其总体目标是进一步了解决定膜蛋白结构和功能的物理原理。理论计算主要基于泊松-玻尔兹曼方程的数值解，将用于研究重要的生物过程，如蛋白质与膜表面的关联，脂质双分子层的侧结构域形成和src家族激酶的蛋白质-蛋白质相互作用。从计算中获得的静电自由能将用于构建可测试的模型，该模型可以解释导致生物膜中形成不同相的显着定位现象，并精确识别彼此的特定蛋白质结构域。亚细胞定位是许多生物现象的中心特征，如病毒组装和信号转导。目前，人们对这些现象背后的过程了解有限，对它们的物理化学基础更是知之甚少。提出的计算和与实验组的相关合作旨在通过提供膜表面附近的定位和特异性的详细原子水平解释来填补这一现有的知识空白。

9808902 Honig This project represents the continuation of a research program whose overall objective is to further understanding of the physical principles that determine the structure and function of membrane proteins. Theoretical calculations based primarily on numerical solutions to the Poisson-Boltzmann equation will be used to study important biological processes such as the association of proteins with membrane surfaces, lateral domain formation in lipid bilayers and protein-protein interactions in src family kinases. Electrostatic free energies obtained from the calculations will be used construct testable models which can explain that remarkable localization phenomena that lead to the formation of distinct phases in biological membranes and to the precise recognition of specific protein domains for one another. Subcellular localization is a central feature of many biological phenomena such as viral assembly and signal transduction. At present there is only limited understanding of the processes that underlie these phenomena and their physical-chemical basis is even more poorly understood. The proposed calculations and the related collaborations with experimental groups are intended to fill this existing gap in knowledge by providing detailed atom-level explanations of localization and specificity near membrane surfaces.