Biogeometry in Work with Faculty
نویسنده
چکیده
In work with faculty Wei Wang, Jans Prins, Alex Tropsha, and Jack Snoeyink, they tested different graph representations of protein structures, including Delaunay tessellation graphs, contact maps, and chose almost-Delaunay graphs as being robust in the presence of coordinate perturbations. They developed a fast method to generate maximal frequent subgraphs directly using a tree representation, to mine larger structures and databases significantly faster than exhaustive enumeration of all subgraphs by depth-first search. By finding family fingerprints, which are frequent subgraphs within a protein family that are rare outside the family, they are able to classify proteins into families based on structure motifs. (e.g., a twoclass classification with over 90% accuracy between the SCOP prokaryotic and eukaryotic serine protease families.)
منابع مشابه
Session Introduction: Biogeometry: Applications of Computational Geometry to Molecular Structure
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