Computational structure analysis of biomacromolecule complexes by interface geometry
Analysis aims to detect interface of complexes at atomic level by geometric methods and interface of complexes computed and compared. The novelty of our method is in describing a new lose accessibility surface filter. This new filter detects the atoms on the accessible surface of interaction complex. The role of water molecules in complexes computed and biophysical property of amino acids involved in complexes interface was considered. The results show high correlation coefficient between our method and the PISA server.
alpha complex computational geometry proteinnucleic acid complexes proteinprotein complexes voronoi diagram