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Stephen Todd, Frederic Fol Leymarie, William Latham, Peter Todd, Pedro Quijada Leyton, Andy Thomason (Goldsmiths, University of London)
We at Goldsmiths have been experimenting with different surface representations of protein docking sites. Part of our BioBlox molecular docking project uses human visual matching to help identify potential docking sites. It is not easy to match the cavity (lock) of the receptor with the docking shape (key) of the ligand, so we use a negative (inside) surface view of the receptor which gives a better visual match to the positive ligand. The inside surface has a very different look from the conventional outside surface. The complete view from inside the protein feels like a sculpted and rather erie cave, especially when viewed with virtual reality. BioBlox generally separates out regions of interest near candidate docking sites for easier matching without clutter. This poster shows the inside surface of the receptor near the docking site in the PDB molecules 2PTC. The colouring is based on the principal curvatures of the surface, which is a metaball surface with a high radius of influence.