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The outcome of an epidemic is closely related to the network of interactionsbetween the individuals. Likewise, protein functions depend on the 3Darrangement of their residues and on the underlying energetic interactionnetwork. Borrowing ideas from the theoretical framework that has been developedto address the spreading of real diseases, we study the diffusion of afictitious epidemic inside the protein non-bonded interaction network. Ourapproach allowed to probe the overall stability and the capability to propagateinformation in the complex 3D-structures and proved to be very efficient inaddressing different problems, from the assessment of thermal stability to theidentification of allosteric sites.

Simulated Epidemics in 3D Protein Structures to Detect Functional Properties