Proteins as Networks: A Mesoscopic Approach Using Haemoglobin Molecule as Case Study
Luisa Di Paola,
Protein structures allow for a straightforward representation in terms of graph theory being the nodes the aminoacid residues and the edges the scoring of a spatial contact between the node pairs. Such a representation allows for a direct use in the realm of protein science of the vast repertoire of graph invariants developed in the analysis of complex networks. In this work we give a general overview of the protein as networks paradigm with a special emphasis on haemoglobin where the most important features of protein systems like allostery, protein-protein contacts and differential effect of mutations were demonstrated to be amenable to a graph theory oriented translation.
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