A Mixed Protein Structure Network and Elastic Network Model Approach to Predict the Structural Communication in Biomolecular Systems: The PDZ2 Domain from Tyrosine Phosphatase 1E As a Case Study

Francesco Raimondi, Angelo Felline, Michele Seeber, Simona Mariani, and Francesca Fanelli ABSTRACT: Graph theory is being increasingly used to study the structural communication in biomolecular systems. This requires incorporating information on the system’s dynamics, which is time-consuming and not suitable

Nucleotide Binding Switches the Information Flow in Ras GTPases

Francesco Raimondi, Guillem Portella, Modesto Orozco, Francesca Fanelli Abstract The Ras superfamily comprises many guanine nucleotide-binding proteins (G proteins) that are essential to intracellular signal transduction. The guanine nucleotide-dependent intrinsic flexibility patterns of five G proteins were investigated in atomic