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Vom digitalen Mock-up zur vollkeramischen Rekonstruktion: Visualisierung des geplanten prothetischen Ergebnisses als wichtiger Schritt für erfolgreiche Kommunikation.
Cover Photograph, Bioorganic & Medicinal Chemistry Letters 2002: Representation of the inhibitor celecoxib in the active site of the COX-2 enzyme. The model has been derived from the 1cx2 crystal structure via docking and force-field calculations [Price, MLP; Jorgensen, WL J. Am. Chem. Soc. 2000, 122, 9455–9466]. Monte Carlo simulations have then been used to develop a com-putational model to reproduce the observed activities of 45 celecoxib analogues [Wesolowski, SS; Jorgensen