Getting poster data...
Nadezhda T. Doncheva, John H. Morris, Karsten Klein, Eric F. Pettersen, Michael Wybrow, Conrad C. Huang, Francisco S. Domingues, Thomas E. Ferrin, Mario Albrecht (Max Planck Institute for Informatics, Saarbruecken; University of California, San Francisco; University of Sydney; Monash University, Melbourne; EURAC research, Bolzano; University Medicine Greifswald)Combining systems and structural biology in the context of visual analytics will be crucial for gaining more insight into complex molecular mechanisms. Recently, we introduced a new approach that interactively links the visualization and analysis of protein structures in UCSF Chimera with their representation as residue interaction networks in Cytoscape. Here, we present a software suite that supports interactive, multi-layered visual analysis of protein structures and their molecular function in protein binding, allostery, drug resistance and other interaction mechanisms. Substantial extensions of our tools structureViz and RINalyzer and integration with the new releases of Cytoscape, UCSF Chimera and Pro-origami provide rich functionality to the user, from enhancing molecular networks with sequence and structure information to providing complementary network representations of protein structures. In particular, we demonstrate how our integrative software can be used to visually analyze the impact of sequence mutations on protein structure.