MULTIPLE STRUCTURE COMPARISON USING DISTANCE DERIVED METRICS: HIV PROTEASE

我们正在开发蛋白质结构比较的工具， 原子间距离 确定最佳参考框架， 描述变化是问题的核心。 原子间距离 具有独立于方向的性质， 结构的整体分析。 我们的第一个数据集是由 连接的HIV蛋白酶结构。 我们的目标是了解规则， 控制着集合中观察到的结构波动。 的资源 计算机图形学实验室被用来查看不同的 HIV蛋白酶的模型进行比较。

We are developing tools for protein structure comparison based on interatomic distances. Defining the best frame of reference for describing change is the heart of the problem. Interatomic distances have the quality of being orientation independent which facilitates analysis of an ensemble of structures. Our first data set is composed of ligated HIV protease structures. We aim to understand rules which govern structural fluctuations observed among the set. The resources of the Computer Graphics Laboratory are utilized to view different models of the HIV protease for comparison.