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    • 36. 发明申请
    • Apparatus and method for detecting ligand by using automatic specific site extraction
    • 通过自动特异性位点提取检测配体的装置和方法
    • US20080133199A1
    • 2008-06-05
    • US11978830
    • 2007-10-30
    • Sung-Hee ParkChan-Yong ParkDae-Hee KimSoo-Jun ParkSeon-Hee Park
    • Sung-Hee ParkChan-Yong ParkDae-Hee KimSoo-Jun ParkSeon-Hee Park
    • G06G7/48
    • G16B15/00G16B30/00
    • Provided is an apparatus and method for detecting a ligand through automatic specific site extraction and allow a convenient and speedy protein structure-based drug design by detecting sequences and structures of protein binding sites or detecting structures of protein binding sites, and then automatically extracting a specific site to detect a ligand. The ligand detecting apparatus includes: an input data processing unit for processing input data; a binding site extraction unit for extracting a binding site from the data; a user input unit for allowing a user to select a comparison type; a manual like-binding-site comparison unit for manually comparing a binding site of a target protein with a like binding site of a protein of a database to extract a specific site; an automatic like-binding-site comparison unit; and a ligand detection unit for performing virtual screening on the specific site.
    • 提供一种通过自动特异性位点提取检测配体的装置和方法,通过检测蛋白质结合位点的序列和结构或检测蛋白质结合位点的结构,从而方便快捷的基于蛋白质结构的药物设计,然后自动提取特异性 检测配体的位点。 配体检测装置包括:输入数据处理单元,用于处理输入数据; 用于从数据中提取结合位点的结合位点提取单元; 用户输入单元,用于允许用户选择比较类型; 用于手动比较目标蛋白质的结合位点与数据库的蛋白质的类似结合位点以提取特定位点的手动样品结合位点比较单元; 自动比对结合位点比较单元; 以及用于在特定位点进行虚拟筛选的配体检测单元。