大豆蛋白存在结构柔性区间，结构柔性区间的组成分布部分影响蛋白质结构折叠/解折叠、亚基聚合/解离等行为，进而影响蛋白界面功能的表达。但现今研究存在大豆蛋白柔性区间定位不明、从构象运动性角度对界面功能的解析认识不清等瓶颈问题。本项目以“空间构象-结构柔性-界面功能表达”的研究理念，集成交叉分子动力学、结构化学及生物化学等理论，联合光谱色谱学技术。拟通过大豆蛋白结构柔性建模，定位大豆蛋白柔性区间及表征大豆蛋白结构柔性特征，解析大豆蛋白柔性及刚性区间与特征结构关系；探析大豆蛋白界面吸附规律、表征界面处蛋白聚集形态及分布特征、比对大豆蛋白界面性能差异，表征大豆蛋白柔性舒张过程中的结构重排规律、结构刚/柔性转变、刚/柔性区间迁移及形变规律，最终明确大豆蛋白结构柔性与界面功能的构效关系，为大豆蛋白分子设计调控及专用型大豆蛋白产品开发提供理论基础。

Soybean protein contains structural flexible regions with special composition and distribution, which influence folding/unfolding, subunit aggregation/dissociation and expression of interface function of soybean protein. The present project focused on soybean protein aims to investigate certain bottleneck problems, such as unknown flexible regions localization, and unclear cognition about conformational mobility of interface function expression. The project applies the concept of “spatial conformation-structural flexibility-interface functional expression” with the help of cross molecular dynamics, structural chemistry, biochemistry theory, and spectroscopic techniques. Through modeling the structural flexibility of soybean protein, locating flexible regions, and representing its structural characteristics, the connections between flexibility/rigidity interval and feature structure in soybean protein could be identified. In addition, the interfacial adsorption rule of soybean protein, the protein aggregation morphology and distribution characteristics in the interface, the difference in interface performance, structural rearrangement of soybean protein in the process of flexible diastolic are to be systemically investigated. As such, the structural rigid/flexible transformation, interval migration, and deformation is to be analyzed. It is of great importance to understand the structural flexibility of soybean protein and related interface function, and it could be served as a theoretical guideline for designing the molecular regulation of soybean protein and developing special-purpose soybean products.