PostDock: A novel visualization tool for the analysis of molecular docking
Tóm tắt
“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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