EXPLORING PROTEIN FOLDING TRAJECTORIES USING GEOMETRIC SPANNERS

D. RUSSEL, L. GUIBAS
2004 Biocomputing 2005  
We describe the 3-D structure of a protein using geometric spanners -geometric graphs with a sparse set of edges where paths approximate the n 2 inter-atom distances. The edges in the spanner pick out important proximities in the structure, labeling a small number of atom pairs or backbone region pairs as being of primary interest. Such compact multiresolution views of proximities in the protein can be quite valuable, allowing, for example, easy visualization of the conformation over the entire
more » ... folding trajectory of a protein and segmentation of the trajectory. These visualizations allow one to easily detect formation of secondary and tertiary structures as the protein folds. • Spanners are proximity based -this parallels proteins where local interactions determine the behavior.
doi:10.1142/9789812702456_0005 fatcat:zipbbnv4mrbl3okz44m3zopbme