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note
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. Minimum energy conformations of the bicyclic fragments were obtained using different molecular mechanics force fields (MM2*, MM3*, AMBER* implemented in the MacroModel/BatchMin V4.5 program) and then superimposed by rigid fit to the X-ray bound structure of PPACK. Only the results obtained using MM2* conformers are presented in the paper, but similar results can be derived with the other force fields.
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13
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0029850330
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. Levy, O.E.; Semple, J.E.; Lim, M.L.; Reiner, J.; Rote, W.E.; Dempsey, E.; Richard, B.M.; Zhang, E.; Tulinsky, A.; Ripka, W.C.; Nutt, R.F. J. Med. Chem., 1996, 39, 4527.
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14
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. Semple, J.E.; Rowley, D.C.; Brunck, T.K.; Ha-Uong, T.; Minami, N.K.; Owens, T.D.; Tamura, S.Y.; Goldman, E.A.; Siev, D.V.; Ardecky, R.J.; Carpenter, S.H.; Ge, Y.; Richard, B.M.; Nolan, T.G.; Hakanson, K.; Tulinsky, A.; Nutt, R.F.; Ripka, W.C. J. Med. Chem., 1996, 39, 4531.
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Bergmeyer HU ed.; Academic Press, 1 edition
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. Inhibition of human α-thrombin (0.02 NIH U/ml; Sigma Co., St.Louis, MO, USA) and of human plasmin (0.02 U/ml; Boehringer Mannheim, Milan, Italy) were tested with Chromozym TH and Chromozym PL substrates from Boehringer Mannheim, according to the protocols provided by the supplier. Bovine trypsin (Boehringer Mannheim) inhibition was assayed using benzoylarginine ethyl ester as substrate, according to Rick, W.; Trypsin, In Methods in Enzymatic Analysis, Bergmeyer HU ed.; Academic Press, 1 edition; 1963, 807.
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. Cirillo, R.; Lippi, A.; Subissi, A.; Agnelli, G.; Criscuoli, M. Thrombosis and Haemostasis, 1996, 76(3) 384.
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0342446223
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manuscript in preparation
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. Cirillo, R. et al., manuscript in preparation.
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Cirillo, R.1
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