Induced Fit

A novel method for fast and accurate prediction of ligand induced conformational changes in receptor active sites

Below are selected publications from 2008; please check here to cite the use of Induced Fit

  •   Shim, J.; Choi, H.S.; Pugliese, A.; Lee, S.; Chae, J.; Choi, B.Y.; Bode, A.M.; Dong, Z., "(-)-Epigallocatechin gallate regulates CD3-mediated T-cell receptor signaling in leukemia through the inhibition of ZAP-70 kinase," J. Biol. Chem., 2008, 283, 28370-28379
  •   Celik, L.; Sinning, S.; Severinsen, K.; Hansen, C.; Møller, M.S.; Bols, M.; Wiborg, O.; Schiøtt, B., "Binding of Serotonin to the Human Serotonin Transporter. Molecular Modeling and Experimental Validation," J. Am. Chem. Soc., 2008, 130, 3853-3865
  •   Salam, N.K.; Huang, T.H.; Kota, B.P.; Kim, M.S.; Li, Y.; Hibbs, D.E., "Novel PPAR-gamma agonists identified from a natural product library: A virtual screening, induced-fit docking and biological assay study," Chem. Biol. Drug Des., 2008, 71, 57-70
  •   Kotsuma, M.; Hanzawa, H.; Iwata, Y.; Takahashi, K.; Tokui, T., "Novel Binding Mode of the Acidic CYP2D6 Substrates Pactimibe and Its Metabolite R-125528," Drug Metab. Dispos., 2008, 36, 1938–1943
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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