Conference Paper

Interactive Analysis and Visualization of Macromolecular Interfaces between Proteins.

DOI: 10.1007/978-3-540-76805-0_17 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
Source: DBLP

ABSTRACT 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.

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