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Image-Based Surface Matching Algorithm Oriented to Structural Biology
July/August 2011 (vol. 8 no. 4)
pp. 1004-1016
Ivan Merelli, Italian National Research Council, Milan
Paolo Cozzi, Italian National Research Council, Milan
Daniele D'Agostino, Italian National Research Council, Genoa
Andrea Clematis, Italian National Research Council, Genoa
Luciano Milanesi, Italian National Research Council, Milan
Emerging technologies for structure matching based on surface descriptions have demonstrated their effectiveness in many research fields. In particular, they can be successfully applied to in silico studies of structural biology. Protein activities, in fact, are related to the external characteristics of these macromolecules and the ability to match surfaces can be important to infer information about their possible functions and interactions. In this work, we present a surface-matching algorithm, based on encoding the outer morphology of proteins in images of local description, which allows us to establish point-to-point correlations among macromolecular surfaces using image-processing functions. Discarding methods relying on biological analysis of atomic structures and expensive computational approaches based on energetic studies, this algorithm can successfully be used for macromolecular recognition by employing local surface features. Results demonstrate that the proposed algorithm can be employed both to identify surface similarities in context of macromolecular functional analysis and to screen possible protein interactions to predict pairing capability.

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Index Terms:
Bioinformatics, surface matching, image representations, pattern recognition, structural biology.
Ivan Merelli, Paolo Cozzi, Daniele D'Agostino, Andrea Clematis, Luciano Milanesi, "Image-Based Surface Matching Algorithm Oriented to Structural Biology," IEEE/ACM Transactions on Computational Biology and Bioinformatics, vol. 8, no. 4, pp. 1004-1016, July-Aug. 2011, doi:10.1109/TCBB.2010.21
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