In this project, I have used the program DOCK to design new inhibitors and effectors of the conformational change of the protein hemagglutinin of influenza virus; I have shown that these molecules preclude infection by the virus of the host cell. I have also made great progress in the identification of the mode and site of binding of inhibitors designed this way previously by Dale Bodian. These methods have required the extensive use of the Computer Graphics Laboratory workstations for programming, running of programs for the computation of solvent-accessible surfaces of my molecule, identification of potential inhibitor binding sites, and visualization of these sites with graphics programs. I have also recently used the workstations to visualize models of inhibitors and of complexes of these inhibitors with hemagglutinin. The MIDAS program has thus far proven to be extremely useful for these purposes. Nearly all of my graphics work to date has been performed using CGL facilities, and I will soon be using these facilities to prepare several manuscripts and my thesis.
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