MOLECULAR STRUCTURE & DYNAMICS IN SOLUTION FROM MULTIDIMENSIONAL NMR: HIV

我们研究的主要目标是提高 确定高分辨率蛋白质和核酸结构以及 来自多维核磁共振实验的溶液中的动力学 将这种方法应用于有趣的主题。一个特别的话题 兴趣在于发展确定动态结构的方法 生物聚合物，因为真正的分子经历了构象 溶液中的波动。目前，我们正在不断完善 方法学和应用包括DNA基因靶点、RNA和 调节基因转录的蛋白质。课程的主题 结构确定通常被选为后续的目标 药物设计。我们广泛使用CGL开发的核磁共振分析 Tool Sparky；我的实验室成员提供了重要的用户意见 Sparky的发展。计算机图形学实验室设施 用来显示三维结构并进行分析 核酸和蛋白质的结构特征。我们还使用 计算机图形学实验室在结构课程中的应用 精细化，正如MidasPlus的代表NOEshow和AMBERshow所实现的那样 美国将随时检查临时结构与 实验数据。在我们最新的工作中，我们一直在生成 构象合奏；我们正在研究如何描述 在有效的图形中提供大量关于合奏的信息 代表权。

The major goal of our research is to improve the capability for determining high-resolution protein and nucleic acid structures and dynamics in solution from multidimensional NMR experiments and to apply that methodology to interesting subjects. A topic of special interest is to develop the means of ascertaining the dynamic structure of biopolymers, since real molecules undergo conformational fluctuations in solution. At present, we continue to improve methodology, and applications include DNA gene targets, RNA, and proteins which regulate gene transcription. The subjects for structure determination are often chosen to be targets for subsequent drug design. We make extensive use of the CGL developed NMR analysis tool Sparky; members of my lab provide significant user input for development of Sparky. The Computer Graphics Laboratory facilities are utilized to display the three-dimensional structure and analyze structural features of nucleic acids and proteins. We also use the Computer Graphics Laboratory during the course of structure refinement, as the MidasPlus delegates, NOEshow and AMBERshow, enable us to readily examine any inconsistencies of interim structures with experimental data. In our most recent work, we have been generating conformational ensembles; we are working on ways of depicting the large amount of information on the ensembles in an effective graphical representation.