SYSTEMS AND METHODS TO PREDICT PROTEIN-PROTEIN INTERACTION

    公开(公告)号:US20240145030A1

    公开(公告)日:2024-05-02

    申请号:US18376729

    申请日:2023-10-04

    Inventor: Johannes Maier

    CPC classification number: G16B15/30 G06N3/02

    Abstract: Systems and methods to predict protein-protein interaction are provided herein for predicting one or more hot spots on a surface of a protein. An example method can include receiving a 3D model representing a whole structure of a protein. The method can include determining different surface patches associated with the 3D model. The method can include determining for at least one of different surface patches at least one of a geometric property or a chemical property. The method can further include assigning each node of a surface patch input features including chemical features. The method can include processing, with a neural network, at least one of a collection of geometric properties collected from one or more of different surface patches or a collection of the chemical properties collected from one or more of different the surface patches to predict one or more hot spots on the surface of the protein.

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