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Docking calculations using GOLD
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suggest that the 4PP ligand could fit into the binding site in a more extended conformation, filling up the S4 pocket and forming an H-bond with the Glu97.O oxygen atom; (B. Wegscheid, A. Bergner, unpublished results)
-
Docking calculations using GOLD (G. Jones, P. Willett, R.C. Glen, A.R. Leach, R. Taylor, J. Mol. Biol. 1997, 727-48) suggest that the 4PP ligand could fit into the binding site in a more extended conformation, filling up the S4 pocket and forming an H-bond with the Glu97.O oxygen atom; (B. Wegscheid, A. Bergner, unpublished results).
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