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Matriptase coordinates were taken from pdb entry 2gv6, the programm Sybyl 7.3 (Tripos, St. Louis, MO) was used for building the inhibitor and assigning atom types. Docking was performed using the programm AutoDock 4 (Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. J. Comp. Chem. 1998, 19, 1639) and the graphic interface AutoDock Tools (Sanner, M.F. J. Mol. Graphics Mod. 1999, 17, 57). The picture was created using Accelrys DS Visualizer 2.0.
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Matriptase coordinates were taken from pdb entry 2gv6, the programm Sybyl 7.3 (Tripos, St. Louis, MO) was used for building the inhibitor and assigning atom types. Docking was performed using the programm AutoDock 4 (Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. J. Comp. Chem. 1998, 19, 1639) and the graphic interface AutoDock Tools (Sanner, M.F. J. Mol. Graphics Mod. 1999, 17, 57). The picture was created using Accelrys DS Visualizer 2.0.
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57749115171
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note
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All final inhibitors were purified by preparative reversed phase HPLC to more than 95% purity (detection at 220 nm) and were obtained as white powders after lyophilisation. The inhibitors were characterized by mass spectrometry and analytical reversed phase HPLC as described in reference 13.
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