Statistics of Protein Structure Comparison.

NCBI的VAST计算机程序目前通过建立表示匹配的二级结构元素的图，在该图中搜索团，然后对匹配团图的边缘的分数求和来执行其结构相邻。然后计算最终总和的统计显著性，以确定两个结构是否相似。一个一般的理论，系统地近似最强大的统计数据库搜索适用于这个问题作为一个特定的测试场。通用理论的自动应用使匹配结构的检索性能提高了20%，而结构匹配的质量没有明显下降。这一改进将被纳入VAST计算机程序的下一个版本。该理论还提出了几个有趣的方向，以提高现有统计数据的敏感性。在今后一年中将系统地探讨这些问题。- 蛋白质结构比较、数据库统计

The VAST computer program at NCBI currently performs its structure neighboring by setting up a graph representing matching secondary structure elements, searching for cliques within that graph, and then summing the scores the edges of the matching clique graph. The statistical significance of the final sum is then calculated to decide whether two structures are similar. A general theory of systematically approximating most powerful statistics for database searches was applied to this problem as a specific testing ground. The automatic application of the general theory led to a 20% improvement in retrieval of matching structures, with no obvious degradation in the quality of the structure matches. The improvement will be incorporated into the next version of the VAST computer program. The theory also suggested several interesting directions for improving the sensitivity of available statistics. These will be explored systematically over the coming year. - Protein Structure Comparison, Database Statistics