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    COMPUTATIONAL METHOD FOR PREDICTING FUNCTIONAL SITES OF BIOLOGICAL MOLECULES
    1.
    发明申请
    COMPUTATIONAL METHOD FOR PREDICTING FUNCTIONAL SITES OF BIOLOGICAL MOLECULES 审中-公开
    用于预测生物分子功能位点的计算方法

    公开(公告)号：US20140279758A1

    公开(公告)日：2014-09-18

    申请号：US14215163

    申请日：2014-03-17

    Applicant: ACADEMIA SINICA

    Inventor： An-Suei Yang ,  Hung-Pin Peng ,  Jhih-Wei Jian

    IPC: G06F19/12 ,  G06F17/30 ,  G06F19/24

    CPC classification number: G16B5/00 ,  G16B40/00 ,  G16B50/00

    Abstract: In a general aspect, a method for inferring one or more biomolecule-to-biomolecule interaction sites includes receiving data representative of a plurality of prediction models. Each prediction model is associated with a different atom type of a plurality of atom types and characterizes biomolecule-to-biomolecule interaction site specific patterns common to a plurality of three dimensional probability density maps. Each three dimensional probability density map is associated with a corresponding biomolecule of a plurality of biomolecules included in a training data set and represents a probability of a non-covalent interacting atom on a surface of the corresponding biomolecule interacting with the atom type associated with the prediction model. Data representative of a query biomolecule is received, the data including one or more unknown biomolecule-to-biomolecule interaction sites. The one or more unknown biomolecule-to-biomolecule interaction sites of the query biomolecule are inferred based on the data representative of the plurality of prediction models.

    Abstract translation: 在一般方面，用于推断一个或多个生物分子与生物分子相互作用位点的方法包括接收表示多个预测模型的数据。 每个预测模型与多个原子类型的不同原子类型相关联，并且表征多个三维概率密度图所共有的生物分子对生物分子相互作用位点特异性模式。 每个三维概率密度图与包括在训练数据集中的多个生物分子的相应生物分子相关联，并且表示在与预测相关的原子类型相互作用的相应生物分子的表面上的非共价相互作用原子的概率 模型。 收到代表查询生物分子的数据，该数据包括一个或多个未知生物分子与生物分子的相互作用位点。 基于代表多个预测模型的数据，推断查询生物分子的一个或多个未知的生物分子对生物分子相互作用位点。

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