Indiana University-Purdue University at Indianapolis
News: Read the Press release about our recent publication linking rigidity and allostery.
We are interested in developing a deeper understanding of the nature of elementary processes
in biological systems. Synthesizing the immense amount of molecular information generated in the
current genomic era into a coherent and useful body of knowledge requires finding patterns and
establishing rules to describe the behavior of the underlying molecules forming these biosystems.
The application of physical principles through computer simulations of these systems allows these
biomolecules to be viewed as nanomachines whose functions are related to their structures.
In order to accomplish these simulations, we have employed several network-based models of protein
structures. The first of these (A) is a residue-level elastic network used for simplified normal
mode analysis using GNM or
ANM and
the second (B) is an all-atom constraint network used for rigidity analysis using
FIRST.