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， 从多维核磁共振实验和溶液动力学 将这种方法应用于有趣的主题。 一个特别的话题 感兴趣的是发展确定动态结构的方法 由于真实的分子经历构象， 溶液的波动。 目前，我们继续改进 方法和应用包括DNA基因靶点，RNA， 调节基因转录的蛋白质。 的议题 结构测定通常被选择为后续 药物设计 我们广泛使用CGL开发的NMR分析 工具Sparky;我的实验室成员提供了重要的用户输入， Sparky的发展 计算机图形实验室设施 用于显示三维结构并分析 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过程中 细化，因为MidasPlus代表，NOEshow和AMBERshow，使 我们随时检查任何不一致的临时结构， 实验数据 在我们最近的工作中， 构象合奏;我们正在努力描绘的方式， 在一个有效的图形合奏大量的信息 表示.

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.