Interactive Analysis and Visualization of Macromolecular Interfaces between Proteins

Conference Paper · November 2007with4 Reads
DOI: 10.1007/978-3-540-76805-0_17 · Source: DBLP
Conference: HCI and Usability for Medicine and Health Care, Third Symposium of the Workgroup Human-Computer Interaction and Usability Engineering of the Austrian Computer Society, USAB 2007, Graz, Austria, November, 22, 2007, Proceedings


    Molecular interfaces between proteins are of high importance for understanding their interactions and functions. In this paper
    protein complexes in the PDB database are used as input to calculate an interface contact matrix between two proteins, based
    on the distance between individual residues and atoms of each protein. The interface contact matrix is linked to a D visualization of the macromolecular structures in that way, that mouse clicking
    on the appropriate part of the interface contact matrix highlights the corresponding residues in the 3D structure. Additionally,
    the identified residues in the interface contact matrix are used to define the molecular surface at the interface. The interface
    contact matrix allows the end user to overview the distribution of the involved residues and an evaluation of interfacial
    binding hot spots. Theinteractive visualization of the selected residues in a 3D view via interacting windows allows realistic analysis of the
    macromolecular interface.