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Towards Protein Interaction Analysis through Surface Labeling
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Towards Protein Interaction Analysis through Surface Labeling
Virginio Cantoni19, 20  , Riccardo Gatti20 and Luca Lombardi20
| (19) |
IEF Institut d’Électronique Fondamentale, Université Paris-Sud XI, |
| (20) |
Dept. of Computer Engineering and System Science, University of Pavia, |
Abstract
The knowledge of the biological function of proteins would have great impact on the identification of novel drug targets,
and on finding the molecular causes of diseases. Unfortunately, the experimental determination of protein function is a very
expensive and time consuming process. As a consequence, the development of computational techniques to complement and guide
the experimental process is a crucial and fundamental step for biological analysis.
The final goal of the activity here presented is to provide a method that allows the identification of sites of possible protein-protein
and protein-ligand interaction on the basis of the geometrical and topological structure of protein surfaces. The goal is
then to discover complementary regions (that is with concave and convex segments that match each others) among different proteins.
In particular, we are considering the first step of this process: the segmentation of the protein surface in protuberances
and inlets through the analysis of convexity and concavity. To this end, two approaches will be described with a comparative
assessment in terms of accuracy and speed of execution.
Keywords protein-protein interaction - surface labeling - heat diffusion
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