Topological descriptors of PCNs (networks invariants) are used to frame protein function, with special regard to properties linked to protein modularity. In this context, Protein Contact Networks (PCNs) emerged as a crucial paradigm for the analysis of protein molecular structures ( Di Paola et al., 2013). Similarly, algorithms for protein structure prediction and reconstruction from PDB files are also used to study protein functionalities. The latter also allows us to identify emerging features and to predict biological mechanisms involving protein molecules ( Eswar et al., 2003). The wealth of structural data requires the use of analytical tools to unravel the structure-to-function relationship. The freely accessible Protein Data Bank gathers protein’s structural information in a specific file format, named PDB file. ![]() Structural information on protein molecules is derived both from experiments and from computational prediction methods (e.g. Proteins exert a central role in biology through a unique and tight relationship between their molecular structure and function.
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