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Modeling and Analysis of Interface between Point Patterns

Summary

Biomolecular interactions are essential for drug design and computer-aided methods are commonly used to simulate/predict such interactions to save time and cost. Two alpha shapes, instead of one, are used to construct the interface surface of two biomolecules. A fully automated algorithm is devised for constructing the interface surface. The statistical, topological, and geometric features of the alpha shapes and the interface surface are computed.

Technology Benefits

•The method is not limited to biomolecules, and can be applied to any patterns containing two sets of points in 3D space.
•The use of the features extracted from the interface surface can be used to build a classifier for the prediction of biomolecular interactions.

Technology Application

•Drug design

Country/Region

Hong Kong

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