PostDock: A novel visualization tool for the analysis of molecular docking |
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Authors: | E Ashley Wiley Ghislain Deslongchamps |
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Affiliation: | (1) Department of Chemistry, University of New Brunswick, Fredericton, NB, Canada, E3B 5A3 |
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Abstract: | “PostDock”, a new visualization tool for the analysis and comparison of molecular docking results is described. It processes
a docking results database and displays an interactive pseudo-3D snapshot of multiple ligand docking poses such that their
docking energies and docking poses are visually encoded for rapid assessment. The docking energies are represented by a transparency
scale whereas the docking poses are encoded by a color scale. The applications of PostDock for ligand–protein docking and
for a novel molecular design approach termed “reverse-docking” are presented. |
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Keywords: | |
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