PROTEIN SHAPE DESCRIPTORS

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The DOCK program uses geometric methods to find possible protein-ligand and protein-protein orientations. I have developed shape descriptors which can be used by the DOCK program to explore and evaluate possible orientations. My current method uses the solid angle of the surface to identify shape-based regions on the protein surface. Graphical programs such as MidasPlus are used to examine the surfaces and project the solid angle values onto the surface by varying the color of the surface.