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    • 10. 发明授权
    • Methods, systems, algorithms and means for describing the possible conformations of actual and theoretical proteins and for evaluating actual and theoretical proteins with respect to folding, overall shape and structural motifs
    • 用于描述实际和理论蛋白质的可能构象以及评估折叠,整体形状和结构基序的实际和理论蛋白质的方法,系统,算法和手段
    • US08818737B2
    • 2014-08-26
    • US12524572
    • 2008-01-30
    • Jiaan Yang
    • Jiaan Yang
    • G01N31/00G01N30/50G06G7/58
    • G06F19/16G06F19/22
    • Methods, systems, algorithms and means for describing, analyzing and predicting protein folding motifs and other structures are provided. In one aspect, the Protein Folding Shape Code (PFSC) methods, systems, algorithms and means of the present invention apply generally to all of the categories of protein analysis and description, and are especially relevant to the geometric analysis and descriptions of proteins from their respective sequences or sequence portions. In a novel approach, the present inventions render analysis with respect to the alpha carbons of five-amino acid elements of a protein, utilizing available data to derive torsion angles and pitch distances, to thereby generate a series of overlapping analysis that can be expressed by a plurality of 27 vectors. Methods, systems and algorithms of the invention can be embodied in any computing device or portion thereof, and are adaptable to describe, analyze and predict the folding and other three-dimensional aspects of the structures of biomolecules such as nucleic acids, carbohydrates and glycoproteins. As yet another advantage, the present invention is adaptable as a tool for describing the conformations of many other organic molecules, and are thus especially suitable for use in the design of drugs, and the discovery and design of molecules which are to be adapted to interact with drugs.
    • 提供了用于描述,分析和预测蛋白质折叠图案和其他结构的方法,系统,算法和手段。 在一个方面,本发明的蛋白质折叠形状代码(PFSC)方法,系统,算法和手段通常适用于蛋白质分析和描述的所有类别,并且与它们的蛋白质的几何分析和描述特别相关 各序列或序列部分。 在一种新颖的方法中,本发明使用可用数据导出扭转角和间距距离,对蛋白质的五个氨基酸元素的α碳进行分析,从而产生一系列重叠分析,可以由 多个27个向量。 本发明的方法,系统和算法可以体现在任何计算设备或其部分中,并且适于描述,分析和预测生物分子的结构的折叠和其他三维方面,例如核酸,碳水化合物和糖蛋白。 作为另一个优点,本发明可适用于描述许多其它有机分子的构象的工具,因此特别适用于药物的设计,以及适于相互作用的分子的发现和设计 用药。