EXPLORING LIPID-PROTEIN INTERACTIONS USING MICROSECOND-SCALE MOLECULAR DYNAMICS

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 膜蛋白和磷脂之间的相互作用，构成了大部分的细胞膜将被检查，特别注意多不饱和脂肪酸（PUFA）的作用，已知对人类健康有广泛的影响。我们将揭示PUFAs调节蛋白质结构和功能的机制。 我们采用三个重要的，但明显不同的原型系统来了解这些影响：视紫红质，KcsA钾通道，和五聚体配体门控离子通道受体。 使用Anton，我们将对不同的脂质成分进行系统的多微秒研究，以了解PUFA对蛋白质结构和波动的影响。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The interactions between membrane proteins and the phospholipids that constitute the majority of cell membranes will be examined, paying particular attention to the roles of polyunsaturated fatty acids (PUFAs) that are known to have wide-ranging impacts on human health. We will reveal the mechanisms by which PUFAs modulate protein structure and function. We employ three important, yet markedly different prototypical systems to understand these effects: rhodopsin, the KcsA potassium channel, and a pentameric ligand-gated ion channel receptor. Using Anton, we will perform systematic multi-microsecond studies of different lipid compositions to understand PUFA effects on protein structure and fluctuations.