PROTEIN SURFACE DATABASE WITH FAST QUERIES FOR HOMOLOGY

描述：（改编自申请人的摘要）开发一种简便， 的特点和详细比较， 蛋白质表面。将使用五个主要组成部分：1。一 网络服务器（向非专业用户提供表面查看功能）; 2 a 数据库（由处理过的PDB文件组成）; 3.一套比较工具; 4.所选家族内蛋白质的详细表征，以及5.一 新颖的查询引擎。考虑到重要特征可能不同 值得注意的是，研究蛋白质表面已经被证明是困难的， 以便识别和比较。为了解决这一难题，调查人员 采用了计算机生成的层次化地形草图（TPS 允许不同程度的表面平滑的视觉。提取的特征 用于“标记化”表面。如此提供的代币 对应于可以自然地按地形排序的特征 突出。TPS组织一个数据库，其中包含一个完整的 生物化学/生物物理学描述下垫面斑块。这使得 丰富的描述符规范，可用于数据库中的匹配 查询，并允许有意义的比较蛋白质内的表面 家庭GRASP程序将用于扩展表面可视化 功能，并耦合到服务器的查询引擎和底层 数据库。因此，将为用户提供用于使用的及时工具。 结构-功能关系的解释和比较， 跨蛋白质家族这个搜索引擎将是重要的新兴 结构基因组学领域 拟议商业应用：不可用

DESCRIPTION: (adapted from applicant's abstract) Development of a facile, web-based environment for the characterization and detailed comparison of protein surfaces is proposed. Five principal components will be utilized: 1. a web server (providing surface viewing capabilities to non-expert users); 2 a database (consisting of processed PDB files); 3. a suite of comparison tools ; 4. a detailed characterization of proteins within selected families, and 5. a novel query engine. Given the fact that important features can differ significantly in prominence, it has proven difficult to study protein surfaces for recognition and comparison. To deal with this difficulty, the investigators have adopted a hierarchical topographical primary sketch (TPS) from computer vision that permits varying degrees of surface smoothing. Features extracted from this hierarchy are used to 'tokenize' the surface. The tokens so provided correspond to features that can be naturally ranked by topographical prominence. The TPS organize a database that contains a full biochemical/biophysical description of underlying surface patches. This enables a rich specification of descriptors that can be used for matching in database queries and allows for meaningful comparison of surfaces within protein families. The program GRASP will be used to extend the surface visualization capabilities, and coupled to the server's query engines and underlying databases. Thus, the user will be provided with a timely tool for the interpretation and comparison of structure-function relationships within and across protein families. This search engine will be important to the emerging field of structural genomics. PROPOSED COMMERCIAL APPLICATION: NOT AVAILABLE