Development of Methods for Biomolecular Structure and Design

将提供基本的生化设备，以发展高分辨率核磁共振(核磁共振)光谱学、计算生物化学、计算机图形学和生物大分子分子建模的综合实验室。该设备将用于普渡大学的生物分子结构和设计中心。最先进的结构生物学技术将在地区和大学设施中应用。核心研究将包括开发新的核磁共振探针和了解酶作用性质的新方法。还将分析涉及酶复合体过渡态类似物的模型系统。一维和二维同核和异核核磁共振数据将与计算机模拟一起用于定义生物大分子在溶液中的三维结构。这些研究应该会导致设计出与蛋白质结合的新化合物。各种各样的其他生物学研究也将得到支持。对蛋白质运动或动力学的计算计算将补充实验测量，以提供对蛋白质功能的更好理解。

Basic biochemical equipment will be provided toward the development of an integrated laboratory for high resolution nuclear magnetic resonance (NMR) spectroscopy, computational biochemistry, computer graphics, and molecular modeling of biological macromolecules. The equipment will be used in the Center for Biomolecular Structure and Design at Purdue University. State-of-the-art techniques in structural biology will be applied in a regional and university facility. Core research will involve the development of new NMR probes and new methods for understanding the nature of enzymatic action. Model systems involving transition state analogues of enzyme complexes will also be analyzed. One and two dimensional homonuclear and heteronuclear NMR data will be used with computer modeling to define three dimensional architecture of biological macromolecules in solution. These studies should lead to the design of new compounds binding to proteins. A wide variety of other biological studies will also be supported. Computational calculations of the motions or dynamics of proteins will supplement the experimental measurements to provide a better understanding of protein function.