Methods of Crystal and Molecular Structure Determination

赫伯特豪普特曼博士是由赠款的支持， 理论和计算化学计划，继续他的 工作在应用直接的方法来解决 蛋白质晶体结构 直接法技术有 成功地解决了“相位问题” 与X射线晶体结构测定有关 小的和中等大小的分子。 目前的做法 豪普特曼和同事们试图将联合收割机 强大的方法与其他目前使用的技术，以帮助 蛋白质晶体结构的测定。 一 拟议研究的潜在好处是快速且 测定三维的常规技术 大酶结构的结构。 更详细的 了解酶的结构和功能是第一位的 在设计治疗许多传染病的药物方面迈出了一步。 赫伯特豪普特曼博士和杰罗姆卡尔博士获得了1985年的诺贝尔奖 化学奖，以表彰他们对发展 X射线相位问题的直接解法 结晶学 这种方法现在在整个 X射线晶体结构的自动化解决方案的世界 小型和中型分子。 Hauptman目前的研究 尝试将联合收割机直接方法与其它电流定相结合 技术，如同晶置换和异常 分散，以开发一个更强大的工具，解决 重要生物大分子的晶体结构 物种

Dr. Herbert Hauptman is supported by a grant from The Theoretical and Computational Chemistry Program to continue his work in the application of direct methods to the solution of protein crystal structures. The direct method techniques have been very successful in solving the difficult "phase problem" associated with the determination of X-ray crystal structures of small and medium sized molecules. The current approach being used by Hauptman and coworkers attempts to combine this powerful method with other currently used techniques to assist in the determination of crystal structures for proteins. A potential benefit of the proposed research is a rapid and routine technique for the determination of 3 dimensional structures of large enzyme structures. A more detailed understanding of enzyme structure and function is the first step in designing drugs to treat many infectious diseases. Drs. Herbert Hauptman and Jerome Karle received the 1985 Nobel Prize in Chemistry for their contributions to the development of the direct method for solving the phase problem in X-ray crystallography. This method is now used routinely throughout the world for automated solution of X-ray crystal structures of small and medium sized molecules. Hauptman's current research attempts to combine direct methods with other current phasing techniques such as isomorphous replacement and anomalous dispersion in order to develop a more powerful tool for solving crystal structures of biologically important macromolecular species.