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    • 2. 发明授权
    • Method for manipulating protein or DNA sequence data in order to generate complementary peptide ligands
    • 用于操纵蛋白质或DNA序列数据以产生互补肽配体的方法
    • US06721663B1
    • 2004-04-13
    • US09571854
    • 2000-05-16
    • Gareth W. RobertsJonathan R. Heal
    • Gareth W. RobertsJonathan R. Heal
    • C12Q168
    • G06F19/22G06F19/16
    • This method enables computational analysis and manipulation of DNA and protein sequence data such as is found in large public databases. The method allows systematic searches of such data to identify portions of sequences which code for key intermolecular surfaces or regions of specific protein targets. In a first example, two amino acid sequences are input (steps 1, 2) to an iterative procedure (steps 4-6). A frame size is selected in terms of a number of sequence elements. The procedure then compares pairs of frames, one from each sequence, to identify intramolecular and intermolecular regions on the basis of relationships between amino acids according to a predetermined coding scheme. The probability of existence of each region within the coding scheme is then evaluated and those regions for which the probability is greater than a predetermined threshold are discarded. The procedure outputs the remaining regions. In a second example, protein structure data is input to an iterative procedure which evaluates for each frame in the protein structure a complementary relationship score between the amino acids in the frame and each amino acid within a predetermined distance from the frame. The procedure outputs each frame for which the score equals or exceeds a predetermined threshold score.
    • 该方法能够对大量公共数据库中的DNA和蛋白质序列数据进行计算分析和操作。 该方法允许系统地搜索这些数据来识别编码关键分子间表面或特定蛋白质靶标区域的序列部分。 在第一个实例中,输入两个氨基酸序列(步骤1,2)至迭代过程(步骤4-6)。 根据序列元素的数量来选择帧大小。 该方法然后根据预定的编码方案,根据氨基酸之间的关系,比较来自每个序列的一对帧,以鉴定分子内和分子间区域。 然后评估编码方案内的每个区域的存在概率,并且丢弃概率大于预定阈值的那些区域。 该过程输出剩余的区域。 在第二个例子中,将蛋白质结构数据输入到迭代过程中,其对蛋白质结构中的每个帧评估帧中的氨基酸与距帧的预定距离内的每个氨基酸之间的互补关系得分。 该过程输出得分等于或超过预定阈值分数的每个帧。