Understanding the mechanisms of protein production, how and why they fold in a certain way, how they act and interact, and ultimately better understand how they work, is one of the most exciting challenges facing the biomedical sciences. In this sense, Biocomputing, with supercomputers as key tools is enabling many of the puzzles to reveal still open on these key players in the diversification of life functions of organisms. In recent years, scientists have discovered that protein function is determined by both its stable structure as the conformational changes occurring in terms of external stimuli. This is what has been called, in recent studies, molecular flexibility proteína.1, 2

Computer simulations using complex statistical calculations based on theoretical models, are being facilitated by modern supercomputers. These simulations as demanded by the technique of molecular dynamics can describe the motion of all atoms in the protein function of time. The IRB Barcelona team led by Modesto Orozco, 3 Director of Computational Biology program at the Barcelona Supercomputing Center, is creating a “library” of 1900 proteins in motion with the help of supercomputer MareNostrum. The database, called MODEL, allow users to see how three-dimensional structures of proteins move in their environment. The MareNostrum supercomputer, the most powerful in Europe and fifth in the world, is the basic tool for making one of the largest projects on protein dynamics in the world.