Principal Component Analysis of Protein Structural Divergence

M.A. MADRID; J. ECHAVE

Montevideo, Uruguay

Workshop; Computational Modelling and Simulations of Biological Systems; 2010

Institut Pasteur

Functional proteins are generally stable mechanical constructs that allow certain types of internal motions that enable their biological function. These internal motions may allow the binding of a sustrate, the adaptation to a diferent enviroment or the transmition of a conformational adjustment that affect the binding. Protein evolutiondepends on the random introduction of mutations on the amino acid sequence. This leads to modify their structures and dynamics, and for that reason, their function. The aim of this project is to study the interrelationship between the perturbations and the changes on protein structure and dynamics. To understand the mechanism underlying this behavior we apply Molecular Dynamics (MD) simulation wich is an allatom technique that can be used to study the movement of proteins, and analyse the Principal Component.