魔角旋转固体NMR可在磷脂膜中研究膜蛋白，被认为是解析膜蛋白三维结构的最有前途的技术之一。但是，与X-射线衍射和液体NMR等成熟的分析技术相比，固体NMR的多维实验非常耗时，导致固体NMR研究蛋白质结构的周期非常长。目前，耗时的固体NMR多维实验已经成为制约固体NMR解析膜蛋白三维结构的主要因素之一。本项目拟以NMR模拟为主要工具，在模拟中嵌入反映膜蛋白结构和动力学的特征变量，利用基于优化控制的模拟策略，发展适用于膜蛋白的高效固体NMR新方法——固体NMR异核/同核偶极重耦方法和谱编辑方法。应用这些新方法，提高固体NMR实验中的磁化传递效率或谱编辑效率，从而建立一组更适用于膜蛋白的快速的固体NMR多维实验，将实验时间缩短至当前的1/4~1/2。预计本项目的顺利实施将极大地加速固体NMR解析膜蛋白三维结构的研究。

Magic-angle spinning (MAS) solid-state NMR (ssNMR) is regarded as one of the most perspective techniques to elucidate three-dimensional structures of membrane proteins (MPs) in native-like phospholipid membranes. However, compared to the mature analytical techniques such as X-ray diffraction and solution NMR, multi-dimensional ssNMR experiments are so time-consuming that the term of structural characterization of MPs by ssNMR is very long. At present, the time-consuming multi-dimensional ssNMR experiments have been a major factor that limits the structural determination of MPs. In this project, we will develop two highly efficient ssNMR methods, using optimal-control NMR simulations which include the characteristic variables of structural and dynamical features of MPs. The methods are developed for heteronuclear/homonuclear dipolar recoupling or spectral editing. Using these methods, we can improve the efficiencies of magnetization transfer or spectral editing, and hence establish a suit of fast multi-dimensional ssNMR experiments to reduce the experimental time by a factor of 2-4. The project is expected to greatly accelerate the structural studies of MPs by ssNMR.