Simulation of NMR Experiments

该奖项为购买一台计算机提供资金，用于分析由核磁共振（NMR）光谱法产生的数据，以研究溶液中的蛋白质结构。确定生物聚合物（如蛋白质和核酸）的三维结构及其与聚合物生物学功能的关系，是现代生物学中的一个中心问题。现在，许多研究人员将核磁共振作为一种非常有前途的方法来研究各种生物分子的天然结构。然而，进一步完善解释光谱数据所需的实验技术和分析工具是这种强大方法应用进展的核心。对此至关重要的是先进的高频核磁共振光谱仪的发展，以及功能强大、相对便宜的计算机的可用性，这些计算机能够处理解释任务所需的广泛而复杂的计算。

This award provides funds for the purchase of a computer to be use in the analysis of data generated by Nuclear Magnetic Resonance (NMR) spectrometry in the study of the structure of proteins in solution. Determination of the three dimensional structure of biopolymers such as proteins and nucleic acids, and its relationship to the biological function of the polymers, is a central problem in modern biology. Many investigators now see the use of NMR as a highly promising approach to studies of the native structure of a variety of biomolecules. However, further refinement of experimental techniques and the analytical tools needed for interpretation of the spectroscopic data is central to progress in the application of this powerful approach. Crucial to this has been the development of advanced, high frequency NMR spectrometers and the availability of powerful, relatively inexpensive computers able to handle the extensive and complex calculations that are needed for the interpretation task.