Paper Citing NAMD - Abstract
Palese, Luigi Leonardo
Protein Dynamics: Complex by Itself
COMPLEXITY, 18:48-56, JAN 2013
Biological functions are intimately rooted in biopolymer dynamics. It is commonly accepted that proteins can be considered as complex systems, but the origin of such complexity is still not fully understood. Moreover, it is still not really clear if proteins are true complex systems or complicated ones. Here, molecular dynamics simulations on a two helix bundle protein have been performed, and protein trajectories have been analyzed by using correlation functions in the frequency domain. We show that even a simple protein exhibits the hallmarks of complex systems. Moreover, the molecular bases of this complex behavior are possessed completely by the protein itself, because such complexity emerges without considering the solvent explicitly. (c) 2012 Wiley Periodicals, Inc. Complexity, 2012
