Aung Zeyar, Tan Kian-Lee
Institute for Infocomm Research, 21 Heng Mui Keng Terrace, Singapore 119613, Singapore.
Drug Discov Today. 2007 Sep;12(17-18):732-9. doi: 10.1016/j.drudis.2007.07.014. Epub 2007 Aug 28.
As protein databases continue to grow in size, exhaustive search methods that compare a query structure against every database structure can no longer provide satisfactory performance. Instead, the filter-and-refine paradigm offers an efficient alternative to database search without compromising the accuracy of the answers. In this paradigm, protein structures are represented in an abstract form. During querying, based on the abstract representations, the filtering phase prunes away dissimilar structures quickly so that only a small collection of promising structures are examined using a detailed structure alignment technique in the refinement phase. This article reviews mainly techniques developed for the filtering phase.
随着蛋白质数据库规模的不断扩大,将查询结构与数据库中的每个结构进行比较的详尽搜索方法已无法提供令人满意的性能。相反,过滤与细化范式提供了一种高效的数据库搜索替代方法,同时又不影响答案的准确性。在这种范式中,蛋白质结构以抽象形式表示。在查询过程中,基于这些抽象表示,过滤阶段会迅速剔除不相似的结构,以便在细化阶段仅使用详细的结构比对技术对一小部分有潜力的结构进行检查。本文主要综述了为过滤阶段开发的技术。