Dr Xavier Cavin and Nicolas Ray
INRIA
Universite Henri Poincare
Nancy, France

Thursday, October 16, 2003
10:00 am (CT)
3169 Beckman Institute

Abstract

Protein docking is a fundamental biological process that links two proteins. This link is defined by the interaction between two large zones of the proteins boundaries. Visualizing such an interface is useful both to understand the process, thanks to co- crystallized proteins, and to estimate the quality of docking simulations. The interface can be defined by a surface that separates the two proteins. Coloring of the surface is used to represent forces (vdW, residue/residue interaction, etc.) on this surface. It is also possible to represent these forces on a map of the surface. We will present a very fast algorithm that extracts an interface with an estimation of forces at each vertex, a way to generate an interaction map, and a method to update the surface in real-time while moving residues.